N-(2-chlorophenyl)-2-(4-oxidanylidene-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-(4-oxidanylidene-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanamide Openeye Name: N-(2-chlorophenyl)-2-(4-oxo-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide CAS Name: N-(2-chlorophenyl)-2-[4-oxo-7-(1-pyrrolidinylsulfonyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-(4-oxo-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Traditional Name: N-(2-chlorophenyl)-2-(4-keto-7-pyrrolidinosulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Formula: C21H22ClN3O4S2 MolecularWeight: 480.00008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3CC(=O)NC4=CC=CC=C4Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3CC(=O)NC4=CC=CC=C4Cl

InChI

InChI=1S/C21H22ClN3O4S2/c22-16-5-1-2-6-17(16)23-20(26)14-25-18-13-15(31(28,29)24-10-3-4-11-24)7-8-19(18)30-12-9-21(25)27/h1-2,5-8,13H,3-4,9-12,14H2,(H,23,26)