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

Systemtic Name: N-(3,4-dimethylphenyl)-2-(7-morpholin-4-ylsulfonyl-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanamide Openeye Name: N-(3,4-dimethylphenyl)-2-(7-morpholinosulfonyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide CAS Name: N-(3,4-dimethylphenyl)-2-[7-(4-morpholinylsulfonyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]acetamide IUPAC Name: N-(3,4-dimethylphenyl)-2-(7-morpholin-4-ylsulfonyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Traditional Name: N-(3,4-dimethylphenyl)-2-(4-keto-7-morpholinosulfonyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetamide Formula: C23H27N3O5S2 MolecularWeight: 489.60758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CN2C(=O)CCSC3=C2C=C(C=C3)S(=O)(=O)N4CCOCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CN2C(=O)CCSC3=C2C=C(C=C3)S(=O)(=O)N4CCOCC4)C

InChI

InChI=1S/C23H27N3O5S2/c1-16-3-4-18(13-17(16)2)24-22(27)15-26-20-14-19(5-6-21(20)32-12-7-23(26)28)33(29,30)25-8-10-31-11-9-25/h3-6,13-14H,7-12,15H2,1-2H3,(H,24,27)