(2S)-N-butyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-butyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-butyl-1-[1-(p-tolylsulfonyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-butyl-1-[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-butyl-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-butyl-1-(1-tosylisonipecotoyl)pyrrolidine-2-carboxamide Formula: C22H33N3O4S MolecularWeight: 435.58012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1CCCN1C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCNC(=O)[C@@H]1CCCN1C(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H33N3O4S/c1-3-4-13-23-21(26)20-6-5-14-25(20)22(27)18-11-15-24(16-12-18)30(28,29)19-9-7-17(2)8-10-19/h7-10,18,20H,3-6,11-16H2,1-2H3,(H,23,26)/t20-/m0/s1