N-butan-2-yl-1-(2-methyl-5-nitro-phenyl)sulfonyl-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: N-butan-2-yl-1-(2-methyl-5-nitro-phenyl)sulfonyl-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-N-sec-butyl-piperidine-4-carboxamide CAS Name: N-butan-2-yl-1-(2-methyl-5-nitrophenyl)sulfonyl-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-N-butan-2-yl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-benzyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-N-sec-butyl-isonipecotamide Formula: C24H31N3O5S MolecularWeight: 473.58504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=CC=C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCC(C)N(CC1=CC=CC=C1)C(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C24H31N3O5S/c1-4-19(3)26(17-20-8-6-5-7-9-20)24(28)21-12-14-25(15-13-21)33(31,32)23-16-22(27(29)30)11-10-18(23)2/h5-11,16,19,21H,4,12-15,17H2,1-3H3