1-(2,4-dimethylphenyl)sulfonyl-N-[1-(phenylmethyl)pyrrolidin-3-yl]piperidine-4-carboxamide

Systemtic Name: 1-(2,4-dimethylphenyl)sulfonyl-N-[1-(phenylmethyl)pyrrolidin-3-yl]piperidine-4-carboxamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-1-(2,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: 1-(2,4-dimethylphenyl)sulfonyl-N-[1-(phenylmethyl)-3-pyrrolidinyl]-4-piperidinecarboxamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-1-(2,4-dimethylphenyl)sulfonyl-isonipecotamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCN(C3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3CCN(C3)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H33N3O3S/c1-19-8-9-24(20(2)16-19)32(30,31)28-14-10-22(11-15-28)25(29)26-23-12-13-27(18-23)17-21-6-4-3-5-7-21/h3-9,16,22-23H,10-15,17-18H2,1-2H3,(H,26,29)