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

Systemtic Name: 2-(4-oxidanylidene-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)-N-phenyl-ethanamide Openeye Name: 2-(4-oxo-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)-N-phenyl-acetamide CAS Name: 2-[4-oxo-7-(1-pyrrolidinylsulfonyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-phenylacetamide IUPAC Name: 2-(4-oxo-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)-N-phenylacetamide Traditional Name: 2-(4-keto-7-pyrrolidinosulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)-N-phenyl-acetamide Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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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=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)SCCC(=O)N3CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O4S2/c25-20(22-16-6-2-1-3-7-16)15-24-18-14-17(30(27,28)23-11-4-5-12-23)8-9-19(18)29-13-10-21(24)26/h1-3,6-9,14H,4-5,10-13,15H2,(H,22,25)