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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)ethanone Openeye Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(4-methoxy-3-morpholinosulfonyl-phenyl)ethanone CAS Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]ethanone IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)ethanone Traditional Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(4-methoxy-3-morpholinosulfonyl-phenyl)ethanone Formula: C22H26N2O5S2 MolecularWeight: 462.58224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CCCSC3=CC=CC=C32)S(=O)(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CCCSC3=CC=CC=C32)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H26N2O5S2/c1-28-19-8-7-17(15-21(19)31(26,27)23-10-12-29-13-11-23)16-22(25)24-9-4-14-30-20-6-3-2-5-18(20)24/h2-3,5-8,15H,4,9-14,16H2,1H3