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

Systemtic Name: 2-methyl-4-oxidanylidene-N-(3-phenylpropyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: 2-methyl-4-oxo-N-(3-phenylpropyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: 2-methyl-4-oxo-N-(3-phenylpropyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: 2-methyl-4-oxo-N-(3-phenylpropyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: 4-keto-2-methyl-N-(3-phenylpropyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C19H22N2O3S2 MolecularWeight: 390.51958

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C19H22N2O3S2/c1-14-12-19(22)21-17-13-16(9-10-18(17)25-14)26(23,24)20-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,13-14,20H,5,8,11-12H2,1H3,(H,21,22)