(4-chloranylnaphthalen-1-yl) 1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-chloranylnaphthalen-1-yl) 1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (4-chloro-1-naphthyl) 1-(2-methyl-5-nitro-phenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-methyl-5-nitrophenyl)sulfonyl-4-piperidinecarboxylic acid (4-chloro-1-naphthalenyl) ester IUPAC Name: (4-chloronaphthalen-1-yl) 1-(2-methyl-5-nitrophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-methyl-5-nitro-phenyl)sulfonylisonipecotic acid (4-chloro-1-naphthyl) ester Formula: C23H21ClN2O6S MolecularWeight: 488.94064

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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)OC3=CC=C(C4=CC=CC=C43)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCC(CC2)C(=O)OC3=CC=C(C4=CC=CC=C43)Cl

InChI

InChI=1S/C23H21ClN2O6S/c1-15-6-7-17(26(28)29)14-22(15)33(30,31)25-12-10-16(11-13-25)23(27)32-21-9-8-20(24)18-4-2-3-5-19(18)21/h2-9,14,16H,10-13H2,1H3