N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(benzenesulfonyl)-N-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-(benzenesulfonyl)-N-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(benzenesulfonyl)-N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-besyl-N-(2-methoxy-5-piperidinosulfonyl-phenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C28H31N3O6S2 MolecularWeight: 569.69224

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C28H31N3O6S2/c1-37-27-15-14-24(38(33,34)30-16-8-3-9-17-30)19-25(27)29-28(32)26-18-21-10-6-7-11-22(21)20-31(26)39(35,36)23-12-4-2-5-13-23/h2,4-7,10-15,19,26H,3,8-9,16-18,20H2,1H3,(H,29,32)