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

Systemtic Name: 2-methyl-4-oxidanylidene-N-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: 2-methyl-4-oxo-N-(3-pyridylmethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: 2-methyl-4-oxo-N-(3-pyridinylmethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: 2-methyl-4-oxo-N-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: 4-keto-2-methyl-N-(3-pyridylmethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C16H17N3O3S2 MolecularWeight: 363.45448

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NCC3=CN=CC=C3

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C16H17N3O3S2/c1-11-7-16(20)19-14-8-13(4-5-15(14)23-11)24(21,22)18-10-12-3-2-6-17-9-12/h2-6,8-9,11,18H,7,10H2,1H3,(H,19,20)