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

Systemtic Name: N-[(2-chlorophenyl)methyl]-2-(4-oxidanylidene-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanamide Openeye Name: N-[(2-chlorophenyl)methyl]-2-(4-oxo-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide CAS Name: N-[(2-chlorophenyl)methyl]-2-[4-oxo-7-(1-pyrrolidinylsulfonyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide IUPAC Name: N-[(2-chlorophenyl)methyl]-2-(4-oxo-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Traditional Name: N-(2-chlorobenzyl)-2-(4-keto-7-pyrrolidinosulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Formula: C22H24ClN3O4S2 MolecularWeight: 494.02666

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3CC(=O)NCC4=CC=CC=C4Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3CC(=O)NCC4=CC=CC=C4Cl

InChI

InChI=1S/C22H24ClN3O4S2/c23-18-6-2-1-5-16(18)14-24-21(27)15-26-19-13-17(32(29,30)25-10-3-4-11-25)7-8-20(19)31-12-9-22(26)28/h1-2,5-8,13H,3-4,9-12,14-15H2,(H,24,27)