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

Systemtic Name: N-methyl-2-(4-oxidanylidene-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)-N-phenyl-ethanamide Openeye Name: N-methyl-2-(4-oxo-7-pyrrolidin-1-ylsulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)-N-phenyl-acetamide CAS Name: N-methyl-2-[4-oxo-7-(1-pyrrolidinylsulfonyl)-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-phenylacetamide IUPAC Name: N-methyl-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-methyl-N-phenyl-acetamide Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)CN2C(=O)CCSC3=C2C=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)CN2C(=O)CCSC3=C2C=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H25N3O4S2/c1-23(17-7-3-2-4-8-17)22(27)16-25-19-15-18(31(28,29)24-12-5-6-13-24)9-10-20(19)30-14-11-21(25)26/h2-4,7-10,15H,5-6,11-14,16H2,1H3