N-methyl-1-(4-methylphenyl)sulfonyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide

Systemtic Name: N-methyl-1-(4-methylphenyl)sulfonyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide Openeye Name: N-methyl-1-(p-tolylsulfonyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide CAS Name: N-methyl-1-(4-methylphenyl)sulfonyl-N-[[2-(1-pyrrolidinyl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-methyl-1-(4-methylphenyl)sulfonyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide Traditional Name: N-methyl-N-(2-pyrrolidinobenzyl)-1-tosyl-isonipecotamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(C)CC3=CC=CC=C3N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(C)CC3=CC=CC=C3N4CCCC4

InChI

InChI=1S/C25H33N3O3S/c1-20-9-11-23(12-10-20)32(30,31)28-17-13-21(14-18-28)25(29)26(2)19-22-7-3-4-8-24(22)27-15-5-6-16-27/h3-4,7-12,21H,5-6,13-19H2,1-2H3