N-(1,3-benzodioxol-5-yl)-1-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[1-(p-tolylsulfonyl)pyrrolidine-2-carbonyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[[1-(4-methylphenyl)sulfonyl-2-pyrrolidinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(1-tosylprolyl)isonipecotamide Formula: C25H29N3O6S MolecularWeight: 499.57926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H29N3O6S/c1-17-4-7-20(8-5-17)35(31,32)28-12-2-3-21(28)25(30)27-13-10-18(11-14-27)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)