1-[(3-methylphenyl)methylsulfonyl]-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide

Systemtic Name: 1-[(3-methylphenyl)methylsulfonyl]-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide Openeye Name: 1-(m-tolylmethylsulfonyl)-N-[3-(1-piperidyl)propyl]piperidine-4-carboxamide CAS Name: 1-[(3-methylphenyl)methylsulfonyl]-N-[3-(1-piperidinyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-methylphenyl)methylsulfonyl]-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide Traditional Name: 1-(3-methylbenzyl)sulfonyl-N-(3-piperidinopropyl)isonipecotamide Formula: C22H35N3O3S MolecularWeight: 421.5966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NCCCN3CCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NCCCN3CCCCC3

InChI

InChI=1S/C22H35N3O3S/c1-19-7-5-8-20(17-19)18-29(27,28)25-15-9-21(10-16-25)22(26)23-11-6-14-24-12-3-2-4-13-24/h5,7-8,17,21H,2-4,6,9-16,18H2,1H3,(H,23,26)