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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CSC2=C(C=C(C=C2)S(=O)(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4)NC1=O

Isomeric SMILES

CC1CSC2=C(C=C(C=C2)S(=O)(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4)NC1=O

InChI

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