N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-1-methylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-1-methylsulfonyl-piperidine-4-carboxamide Openeye Name: 1-methylsulfonyl-N-[2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]piperidine-4-carboxamide CAS Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-1-methylsulfonyl-4-piperidinecarboxamide IUPAC Name: N-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-1-methylsulfonylpiperidine-4-carboxamide Traditional Name: 1-mesyl-N-(2-tosyl-3,4-dihydro-1H-isoquinolin-7-yl)isonipecotamide Formula: C23H29N3O5S2 MolecularWeight: 491.62346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4CCN(CC4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4CCN(CC4)S(=O)(=O)C

InChI

InChI=1S/C23H29N3O5S2/c1-17-3-7-22(8-4-17)33(30,31)26-14-9-18-5-6-21(15-20(18)16-26)24-23(27)19-10-12-25(13-11-19)32(2,28)29/h3-8,15,19H,9-14,16H2,1-2H3,(H,24,27)