1-(2-methyl-5-nitro-phenyl)sulfonyl-4-(phenylmethyl)piperidine

Systemtic Name: 1-(2-methyl-5-nitro-phenyl)sulfonyl-4-(phenylmethyl)piperidine Openeye Name: 4-benzyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-4-(phenylmethyl)piperidine IUPAC Name: 4-benzyl-1-(2-methyl-5-nitrophenyl)sulfonylpiperidine Traditional Name: 4-benzyl-1-(2-methyl-5-nitro-phenyl)sulfonyl-piperidine Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H22N2O4S/c1-15-7-8-18(21(22)23)14-19(15)26(24,25)20-11-9-17(10-12-20)13-16-5-3-2-4-6-16/h2-8,14,17H,9-13H2,1H3