N-ethyl-N-(4-methoxyphenyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide

Systemtic Name: N-ethyl-N-(4-methoxyphenyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-ethyl-N-(4-methoxyphenyl)-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-ethyl-N-(4-methoxyphenyl)-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-ethyl-N-(4-methoxyphenyl)-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-ethyl-4-keto-N-(4-methoxyphenyl)-2-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC3=C(C=C2)SC(CC(=O)N3)C

Isomeric SMILES

CCN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC3=C(C=C2)SC(CC(=O)N3)C

InChI

InChI=1S/C19H22N2O4S2/c1-4-21(14-5-7-15(25-3)8-6-14)27(23,24)16-9-10-18-17(12-16)20-19(22)11-13(2)26-18/h5-10,12-13H,4,11H2,1-3H3,(H,20,22)