2-methyl-4-oxidanylidene-N-[(3,4,5-triethoxyphenyl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide

Systemtic Name: 2-methyl-4-oxidanylidene-N-[(3,4,5-triethoxyphenyl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: 2-methyl-4-oxo-N-[(3,4,5-triethoxyphenyl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: 2-methyl-4-oxo-N-[(3,4,5-triethoxyphenyl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: 2-methyl-4-oxo-N-[(3,4,5-triethoxyphenyl)methyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: 4-keto-2-methyl-N-(3,4,5-triethoxybenzyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C23H30N2O6S2 MolecularWeight: 494.6241

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)CNS(=O)(=O)C2=CC3=C(C=C2)SC(CC(=O)N3)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)CNS(=O)(=O)C2=CC3=C(C=C2)SC(CC(=O)N3)C

InChI

InChI=1S/C23H30N2O6S2/c1-5-29-19-11-16(12-20(30-6-2)23(19)31-7-3)14-24-33(27,28)17-8-9-21-18(13-17)25-22(26)10-15(4)32-21/h8-9,11-13,15,24H,5-7,10,14H2,1-4H3,(H,25,26)