N-(1,3-benzodioxol-5-yl)-1-(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-(2-methyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-(2-methyl-5-pyrrolidin-1-ylsulfonyl-benzoyl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[[2-methyl-5-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-(2-methyl-5-pyrrolidin-1-ylsulfonylbenzoyl)piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-(2-methyl-5-pyrrolidinosulfonyl-benzoyl)isonipecotamide Formula: C25H29N3O6S MolecularWeight: 499.57926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)N3CCC(CC3)C(=O)NC4=CC5=C(C=C4)OCO5

InChI

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