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

Systemtic Name: 1-[(3-methylphenyl)methylsulfonyl]-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide Openeye Name: 1-(m-tolylmethylsulfonyl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide CAS Name: 1-[(3-methylphenyl)methylsulfonyl]-N-[3-(1-pyrrolidinyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-[(3-methylphenyl)methylsulfonyl]-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide Traditional Name: 1-(3-methylbenzyl)sulfonyl-N-(3-pyrrolidinopropyl)isonipecotamide Formula: C21H33N3O3S MolecularWeight: 407.57002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NCCCN3CCCC3

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NCCCN3CCCC3

InChI

InChI=1S/C21H33N3O3S/c1-18-6-4-7-19(16-18)17-28(26,27)24-14-8-20(9-15-24)21(25)22-10-5-13-23-11-2-3-12-23/h4,6-7,16,20H,2-3,5,8-15,17H2,1H3,(H,22,25)