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

Systemtic Name: N-(3-bromophenyl)-3-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-(3-bromophenyl)-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-(3-bromophenyl)-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-(3-bromophenyl)-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-(3-bromophenyl)-4-keto-3-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C16H15BrN2O3S2 MolecularWeight: 427.3359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CSC2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)Br)NC1=O

Isomeric SMILES

CC1CSC2=C(C=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)Br)NC1=O

InChI

InChI=1S/C16H15BrN2O3S2/c1-10-9-23-15-6-5-13(8-14(15)18-16(10)20)24(21,22)19-12-4-2-3-11(17)7-12/h2-8,10,19H,9H2,1H3,(H,18,20)