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

Systemtic Name: N-cyclopentyl-4-oxidanylidene-N-(thiophen-2-ylmethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Openeye Name: N-cyclopentyl-4-oxo-N-(2-thienylmethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide CAS Name: N-cyclopentyl-4-oxo-N-(thiophen-2-ylmethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide IUPAC Name: N-cyclopentyl-4-oxo-N-(thiophen-2-ylmethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Traditional Name: N-cyclopentyl-4-keto-N-(2-thenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide Formula: C19H22N2O3S3 MolecularWeight: 422.58458

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC2=CC=CS2)S(=O)(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

C1CCC(C1)N(CC2=CC=CS2)S(=O)(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C19H22N2O3S3/c22-19-9-11-26-18-8-7-16(12-17(18)20-19)27(23,24)21(14-4-1-2-5-14)13-15-6-3-10-25-15/h3,6-8,10,12,14H,1-2,4-5,9,11,13H2,(H,20,22)