1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[1-(phenylmethyl)pyrrolidin-3-yl]piperidine-4-carboxamide

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-N-[1-(phenylmethyl)pyrrolidin-3-yl]piperidine-4-carboxamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-N-[1-(phenylmethyl)-3-pyrrolidinyl]-4-piperidinecarboxamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-1-(2-methyl-5-nitro-phenyl)sulfonyl-isonipecotamide Formula: C24H30N4O5S MolecularWeight: 486.5838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3CCN(C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)NC3CCN(C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H30N4O5S/c1-18-7-8-22(28(30)31)15-23(18)34(32,33)27-13-9-20(10-14-27)24(29)25-21-11-12-26(17-21)16-19-5-3-2-4-6-19/h2-8,15,20-21H,9-14,16-17H2,1H3,(H,25,29)