2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)ethanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(4-methoxy-3-morpholinosulfonyl-phenyl)acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-(4-methoxy-3-morpholinosulfonyl-phenyl)acetamide Formula: C22H27N3O5S2 MolecularWeight: 477.59688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CN2CCCSC3=CC=CC=C32)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CN2CCCSC3=CC=CC=C32)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H27N3O5S2/c1-29-19-8-7-17(15-21(19)32(27,28)25-10-12-30-13-11-25)23-22(26)16-24-9-4-14-31-20-6-3-2-5-18(20)24/h2-3,5-8,15H,4,9-14,16H2,1H3,(H,23,26)