N-(3-methyl-1-phenyl-butyl)-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-(3-methyl-1-phenyl-butyl)-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-(3-methyl-1-phenyl-butyl)-1-(p-tolylmethylsulfonyl)piperidine-4-carboxamide CAS Name: N-(3-methyl-1-phenylbutyl)-1-[(4-methylphenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(3-methyl-1-phenylbutyl)-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: 1-(4-methylbenzyl)sulfonyl-N-(3-methyl-1-phenyl-butyl)isonipecotamide Formula: C25H34N2O3S MolecularWeight: 442.61406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NC(CC(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)N2CCC(CC2)C(=O)NC(CC(C)C)C3=CC=CC=C3

InChI

InChI=1S/C25H34N2O3S/c1-19(2)17-24(22-7-5-4-6-8-22)26-25(28)23-13-15-27(16-14-23)31(29,30)18-21-11-9-20(3)10-12-21/h4-12,19,23-24H,13-18H2,1-3H3,(H,26,28)