2-[1-azanyl-2-(2-diethylaminoethyl)-7-methoxy-9-oxidanylidene-thioxanthen-4-yl]ethanesulfonamide

Systemtic Name: 2-[1-azanyl-2-(2-diethylaminoethyl)-7-methoxy-9-oxidanylidene-thioxanthen-4-yl]ethanesulfonamide Openeye Name: 2-[1-amino-2-(2-diethylaminoethyl)-7-methoxy-9-oxo-thioxanthen-4-yl]ethanesulfonamide CAS Name: 2-[1-amino-2-(2-diethylaminoethyl)-7-methoxy-9-oxo-4-thioxanthenyl]ethanesulfonamide IUPAC Name: 2-[1-amino-2-(2-diethylaminoethyl)-7-methoxy-9-oxothioxanthen-4-yl]ethanesulfonamide Traditional Name: 2-[1-amino-2-(2-diethylaminoethyl)-9-keto-7-methoxy-thioxanthen-4-yl]ethanesulfonamide Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1=CC(=C2C(=C1N)C(=O)C3=C(S2)C=CC(=C3)OC)CCS(=O)(=O)N

Isomeric SMILES

CCN(CC)CCC1=CC(=C2C(=C1N)C(=O)C3=C(S2)C=CC(=C3)OC)CCS(=O)(=O)N

InChI

InChI=1S/C22H29N3O4S2/c1-4-25(5-2)10-8-14-12-15(9-11-31(24,27)28)22-19(20(14)23)21(26)17-13-16(29-3)6-7-18(17)30-22/h6-7,12-13H,4-5,8-11,23H2,1-3H3,(H2,24,27,28)