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

Systemtic Name: 2-methyl-4-oxidanylidene-N-phenethyl-N-(phenylmethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-benzyl-2-methyl-4-oxo-N-phenethyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: 2-methyl-4-oxo-N-phenethyl-N-(phenylmethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-benzyl-2-methyl-4-oxo-N-phenethyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-benzyl-4-keto-2-methyl-N-phenethyl-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C25H26N2O3S2 MolecularWeight: 466.61554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1CC(=O)NC2=C(S1)C=CC(=C2)S(=O)(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O3S2/c1-19-16-25(28)26-23-17-22(12-13-24(23)31-19)32(29,30)27(18-21-10-6-3-7-11-21)15-14-20-8-4-2-5-9-20/h2-13,17,19H,14-16,18H2,1H3,(H,26,28)