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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide Formula: C24H31N3O4S2 MolecularWeight: 489.65064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CN3CCCSC4=CC=CC=C43

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CN3CCCSC4=CC=CC=C43

InChI

InChI=1S/C24H31N3O4S2/c1-31-22-12-11-19(33(29,30)27-14-6-2-3-7-15-27)17-20(22)25-24(28)18-26-13-8-16-32-23-10-5-4-9-21(23)26/h4-5,9-12,17H,2-3,6-8,13-16,18H2,1H3,(H,25,28)