N-(1-azanyl-9-oxidanylidene-thioxanthen-4-yl)-3,4-bis(chloranyl)-N-methyl-benzenesulfonamide; 2-diethylaminoethyl 5-methyl-2-propan-2-yl-cyclohexane-1-sulfonate; 5-methyl-2-propan-2-yl-cyclohexane-1-sulfonic acid

Systemtic Name: N-(1-azanyl-9-oxidanylidene-thioxanthen-4-yl)-3,4-bis(chloranyl)-N-methyl-benzenesulfonamide; 2-diethylaminoethyl 5-methyl-2-propan-2-yl-cyclohexane-1-sulfonate; 5-methyl-2-propan-2-yl-cyclohexane-1-sulfonic acid Openeye Name: N-(1-amino-9-oxo-thioxanthen-4-yl)-3,4-dichloro-N-methyl-benzenesulfonamide; 2-diethylaminoethyl 2-isopropyl-5-methyl-cyclohexanesulfonate; 2-isopropyl-5-methyl-cyclohexanesulfonic acid CAS Name: N-(1-amino-9-oxo-4-thioxanthenyl)-3,4-dichloro-N-methylbenzenesulfonamide; 5-methyl-2-propan-2-yl-1-cyclohexanesulfonic acid; 5-methyl-2-propan-2-yl-1-cyclohexanesulfonic acid 2-diethylaminoethyl ester IUPAC Name: N-(1-amino-9-oxothioxanthen-4-yl)-3,4-dichloro-N-methylbenzenesulfonamide; 2-diethylaminoethyl 5-methyl-2-propan-2-ylcyclohexane-1-sulfonate; 5-methyl-2-propan-2-ylcyclohexane-1-sulfonic acid Traditional Name: N-(1-amino-9-keto-thioxanthen-4-yl)-3,4-dichloro-N-methyl-benzenesulfonamide; 2-isopropyl-5-methyl-cyclohexanesulfonic acid; 2-isopropyl-5-methyl-cyclohexanesulfonic acid 2-diethylaminoethyl ester Formula: C46H67Cl2N3O9S4 MolecularWeight: 1005.20488

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOS(=O)(=O)C1CC(CCC1C(C)C)C.CC1CCC(C(C1)S(=O)(=O)O)C(C)C.CN(C1=C2C(=C(C=C1)N)C(=O)C3=CC=CC=C3S2)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CCN(CC)CCOS(=O)(=O)C1CC(CCC1C(C)C)C.CC1CCC(C(C1)S(=O)(=O)O)C(C)C.CN(C1=C2C(=C(C=C1)N)C(=O)C3=CC=CC=C3S2)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H14Cl2N2O3S2.C16H33NO3S.C10H20O3S/c1-24(29(26,27)11-6-7-13(21)14(22)10-11)16-9-8-15(23)18-19(25)12-4-2-3-5-17(12)28-20(16)18;1-6-17(7-2)10-11-20-21(18,19)16-12-14(5)8-9-15(16)13(3)4;1-7(2)9-5-4-8(3)6-10(9)14(11,12)13/h2-10H,23H2,1H3;13-16H,6-12H2,1-5H3;7-10H,4-6H2,1-3H3,(H,11,12,13)