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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NCC3=CC=C(C=C3)N4CCCC4

InChI

InChI=1S/C25H33N3O3S/c1-20-4-6-22(7-5-20)19-32(30,31)28-16-12-23(13-17-28)25(29)26-18-21-8-10-24(11-9-21)27-14-2-3-15-27/h4-11,23H,2-3,12-19H2,1H3,(H,26,29)