2-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-[4-[(4-methyl-1-piperidyl)sulfonyl]benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[[4-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-[4-(4-methylpiperidin-1-yl)sulfonylbenzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-[4-(4-methylpiperidino)sulfonylbenzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC4=CC=CC=C4CC3C(=O)N

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC4=CC=CC=C4CC3C(=O)N

InChI

InChI=1S/C23H27N3O4S/c1-16-10-12-25(13-11-16)31(29,30)20-8-6-17(7-9-20)23(28)26-15-19-5-3-2-4-18(19)14-21(26)22(24)27/h2-9,16,21H,10-15H2,1H3,(H2,24,27)