1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonyl-N-phenethyl-piperidine-4-carboxamide

Systemtic Name: 1-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonyl-N-phenethyl-piperidine-4-carboxamide Openeye Name: N-phenethyl-1-[1-(p-tolylsulfonyl)piperidine-3-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[1-(4-methylphenyl)sulfonyl-3-piperidinyl]-oxomethyl]-N-phenethyl-4-piperidinecarboxamide IUPAC Name: 1-[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]-N-phenethylpiperidine-4-carboxamide Traditional Name: N-phenethyl-1-(1-tosylnipecotoyl)isonipecotamide Formula: C27H35N3O4S MolecularWeight: 497.6495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCC(CC3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)N3CCC(CC3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H35N3O4S/c1-21-9-11-25(12-10-21)35(33,34)30-17-5-8-24(20-30)27(32)29-18-14-23(15-19-29)26(31)28-16-13-22-6-3-2-4-7-22/h2-4,6-7,9-12,23-24H,5,8,13-20H2,1H3,(H,28,31)