[4-[(4-chlorophenyl)sulfonyl-methyl-amino]phenyl] 1-pyrimidin-2-ylpiperidine-3-carboxylate

Systemtic Name: [4-[(4-chlorophenyl)sulfonyl-methyl-amino]phenyl] 1-pyrimidin-2-ylpiperidine-3-carboxylate Openeye Name: [4-[(4-chlorophenyl)sulfonyl-methyl-amino]phenyl] 1-pyrimidin-2-ylpiperidine-3-carboxylate CAS Name: 1-(2-pyrimidinyl)-3-piperidinecarboxylic acid [4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl] 1-pyrimidin-2-ylpiperidine-3-carboxylate Traditional Name: 1-(2-pyrimidyl)nipecotic acid [4-[(4-chlorophenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C23H23ClN4O4S MolecularWeight: 486.97112

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)OC(=O)C2CCCN(C2)C3=NC=CC=N3)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN(C1=CC=C(C=C1)OC(=O)C2CCCN(C2)C3=NC=CC=N3)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H23ClN4O4S/c1-27(33(30,31)21-11-5-18(24)6-12-21)19-7-9-20(10-8-19)32-22(29)17-4-2-15-28(16-17)23-25-13-3-14-26-23/h3,5-14,17H,2,4,15-16H2,1H3