N-[1-(4-methylsulfonylphenyl)carbonylpiperidin-4-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: N-[1-(4-methylsulfonylphenyl)carbonylpiperidin-4-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[1-(4-methylsulfonylbenzoyl)-4-piperidyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[1-[(4-methylsulfonylphenyl)-oxomethyl]-4-piperidinyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[1-(4-methylsulfonylbenzoyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[1-(4-mesylbenzoyl)-4-piperidyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCC(CC2)NC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)N2CCC(CC2)NC(=O)N3CCC4=CC=CC=C4C3

InChI

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