(2-chloranyl-4-phenyl-phenyl) 1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (2-chloranyl-4-phenyl-phenyl) 1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxylate Openeye Name: (2-chloro-4-phenyl-phenyl) 1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxylate CAS Name: 1-[(1-methyl-3-pyrrolyl)sulfonyl]-4-piperidinecarboxylic acid (2-chloro-4-phenylphenyl) ester IUPAC Name: (2-chloro-4-phenylphenyl) 1-(1-methylpyrrol-3-yl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(1-methylpyrrol-3-yl)sulfonylisonipecotic acid (2-chloro-4-phenyl-phenyl) ester Formula: C23H23ClN2O4S MolecularWeight: 458.95772

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3=C(C=C(C=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

CN1C=CC(=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3=C(C=C(C=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C23H23ClN2O4S/c1-25-12-11-20(16-25)31(28,29)26-13-9-18(10-14-26)23(27)30-22-8-7-19(15-21(22)24)17-5-3-2-4-6-17/h2-8,11-12,15-16,18H,9-10,13-14H2,1H3