N-[[1-(2-diethylaminoethylamino)-9-oxidanylidene-thioxanthen-4-yl]methyl]-2-methoxy-benzenesulfonamide; methanesulfonate

Systemtic Name: N-[[1-(2-diethylaminoethylamino)-9-oxidanylidene-thioxanthen-4-yl]methyl]-2-methoxy-benzenesulfonamide; methanesulfonate Openeye Name: N-[[1-(2-diethylaminoethylamino)-9-oxo-thioxanthen-4-yl]methyl]-2-methoxy-benzenesulfonamide; methanesulfonate CAS Name: N-[[1-(2-diethylaminoethylamino)-9-oxo-4-thioxanthenyl]methyl]-2-methoxybenzenesulfonamide; methanesulfonate IUPAC Name: N-[[1-(2-diethylaminoethylamino)-9-oxothioxanthen-4-yl]methyl]-2-methoxybenzenesulfonamide; methanesulfonate Traditional Name: N-[[1-(2-diethylaminoethylamino)-9-keto-thioxanthen-4-yl]methyl]-2-methoxy-benzenesulfonamide mesylate Formula: C28H34N3O7S3- MolecularWeight: 620.78046

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)CNS(=O)(=O)C3=CC=CC=C3OC)SC4=CC=CC=C4C2=O.CS(=O)(=O)[O-]

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)CNS(=O)(=O)C3=CC=CC=C3OC)SC4=CC=CC=C4C2=O.CS(=O)(=O)[O-]

InChI

InChI=1S/C27H31N3O4S2.CH4O3S/c1-4-30(5-2)17-16-28-21-15-14-19(18-29-36(32,33)24-13-9-7-11-22(24)34-3)27-25(21)26(31)20-10-6-8-12-23(20)35-27;1-5(2,3)4/h6-15,28-29H,4-5,16-18H2,1-3H3;1H3,(H,2,3,4)/p-1