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

Systemtic Name: N-(4-chlorophenyl)-2-(7-morpholin-4-ylsulfonyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanamide Openeye Name: N-(4-chlorophenyl)-2-(7-morpholinosulfonyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide CAS Name: N-(4-chlorophenyl)-2-[7-(4-morpholinylsulfonyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide IUPAC Name: N-(4-chlorophenyl)-2-(7-morpholin-4-ylsulfonyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Traditional Name: N-(4-chlorophenyl)-2-(4-keto-7-morpholinosulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Formula: C21H22ClN3O5S2 MolecularWeight: 495.99948

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N(C1=O)CC(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CSC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N(C1=O)CC(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN3O5S2/c22-15-1-3-16(4-2-15)23-20(26)14-25-18-13-17(5-6-19(18)31-12-7-21(25)27)32(28,29)24-8-10-30-11-9-24/h1-6,13H,7-12,14H2,(H,23,26)