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

Systemtic Name: N-(3-methoxyphenyl)-2-(7-morpholin-4-ylsulfonyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanamide Openeye Name: N-(3-methoxyphenyl)-2-(7-morpholinosulfonyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide CAS Name: N-(3-methoxyphenyl)-2-[7-(4-morpholinylsulfonyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide IUPAC Name: N-(3-methoxyphenyl)-2-(7-morpholin-4-ylsulfonyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Traditional Name: 2-(4-keto-7-morpholinosulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)-N-(3-methoxyphenyl)acetamide Formula: C22H25N3O6S2 MolecularWeight: 491.5804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CN2C(=O)CCSC3=C2C=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CN2C(=O)CCSC3=C2C=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H25N3O6S2/c1-30-17-4-2-3-16(13-17)23-21(26)15-25-19-14-18(5-6-20(19)32-12-7-22(25)27)33(28,29)24-8-10-31-11-9-24/h2-6,13-14H,7-12,15H2,1H3,(H,23,26)