(2S)-N-(1,3-benzodioxol-5-yl)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-(1,3-benzodioxol-5-yl)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(1,3-benzodioxol-5-yl)-1-[1-(p-tolylsulfonyl)piperidine-4-carbonyl]pyrrolidine-2-carboxamide CAS Name: (2S)-N-(1,3-benzodioxol-5-yl)-1-[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-(1,3-benzodioxol-5-yl)-1-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(1,3-benzodioxol-5-yl)-1-(1-tosylisonipecotoyl)pyrrolidine-2-carboxamide Formula: C25H29N3O6S MolecularWeight: 499.57926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCC[C@H]3C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H29N3O6S/c1-17-4-7-20(8-5-17)35(31,32)27-13-10-18(11-14-27)25(30)28-12-2-3-21(28)24(29)26-19-6-9-22-23(15-19)34-16-33-22/h4-9,15,18,21H,2-3,10-14,16H2,1H3,(H,26,29)/t21-/m0/s1