1-(4-methylphenyl)sulfonyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-(p-tolylsulfonyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]piperidine-4-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-[3-(1-pyrrolidinylmethyl)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]piperidine-4-carboxamide Traditional Name: N-[3-(pyrrolidinomethyl)phenyl]-1-tosyl-isonipecotamide Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)CN4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)CN4CCCC4

InChI

InChI=1S/C24H31N3O3S/c1-19-7-9-23(10-8-19)31(29,30)27-15-11-21(12-16-27)24(28)25-22-6-4-5-20(17-22)18-26-13-2-3-14-26/h4-10,17,21H,2-3,11-16,18H2,1H3,(H,25,28)