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

Systemtic Name: 2-methyl-N-[4-(1,2-oxazol-5-yl)phenyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-(4-isoxazol-5-ylphenyl)-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-[4-(5-isoxazolyl)phenyl]-2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: 2-methyl-N-[4-(1,2-oxazol-5-yl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-(4-isoxazol-5-ylphenyl)-4-keto-2-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C19H17N3O4S2 MolecularWeight: 415.48598

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C4=CC=NO4

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C4=CC=NO4

InChI

InChI=1S/C19H17N3O4S2/c1-12-10-19(23)21-16-11-15(6-7-18(16)27-12)28(24,25)22-14-4-2-13(3-5-14)17-8-9-20-26-17/h2-9,11-12,22H,10H2,1H3,(H,21,23)