N-(1-azanyl-7-methoxy-9-oxidanylidene-thioxanthen-4-yl)-3-(diethylamino)-N-methyl-propane-1-sulfonamide

Systemtic Name: N-(1-azanyl-7-methoxy-9-oxidanylidene-thioxanthen-4-yl)-3-(diethylamino)-N-methyl-propane-1-sulfonamide Openeye Name: N-(1-amino-7-methoxy-9-oxo-thioxanthen-4-yl)-3-(diethylamino)-N-methyl-propane-1-sulfonamide CAS Name: N-(1-amino-7-methoxy-9-oxo-4-thioxanthenyl)-3-(diethylamino)-N-methyl-1-propanesulfonamide IUPAC Name: N-(1-amino-7-methoxy-9-oxothioxanthen-4-yl)-3-(diethylamino)-N-methylpropane-1-sulfonamide Traditional Name: N-(1-amino-9-keto-7-methoxy-thioxanthen-4-yl)-3-(diethylamino)-N-methyl-propane-1-sulfonamide Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCS(=O)(=O)N(C)C1=C2C(=C(C=C1)N)C(=O)C3=C(S2)C=CC(=C3)OC

Isomeric SMILES

CCN(CC)CCCS(=O)(=O)N(C)C1=C2C(=C(C=C1)N)C(=O)C3=C(S2)C=CC(=C3)OC

InChI

InChI=1S/C22H29N3O4S2/c1-5-25(6-2)12-7-13-31(27,28)24(3)18-10-9-17(23)20-21(26)16-14-15(29-4)8-11-19(16)30-22(18)20/h8-11,14H,5-7,12-13,23H2,1-4H3