1-[(2-methylphenyl)methylsulfonyl]-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide

Systemtic Name: 1-[(2-methylphenyl)methylsulfonyl]-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide Openeye Name: 1-(o-tolylmethylsulfonyl)-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide CAS Name: 1-[(2-methylphenyl)methylsulfonyl]-N-[3-(1-pyrrolidinyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-[(2-methylphenyl)methylsulfonyl]-N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide Traditional Name: 1-(2-methylbenzyl)sulfonyl-N-(3-pyrrolidinopropyl)isonipecotamide Formula: C21H33N3O3S MolecularWeight: 407.57002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)(=O)N2CCC(CC2)C(=O)NCCCN3CCCC3

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)N2CCC(CC2)C(=O)NCCCN3CCCC3

InChI

InChI=1S/C21H33N3O3S/c1-18-7-2-3-8-20(18)17-28(26,27)24-15-9-19(10-16-24)21(25)22-11-6-14-23-12-4-5-13-23/h2-3,7-8,19H,4-6,9-17H2,1H3,(H,22,25)