[4-[(4-chlorophenyl)sulfonyl-methyl-amino]phenyl] 1-methylsulfonylpiperidine-3-carboxylate

Systemtic Name: [4-[(4-chlorophenyl)sulfonyl-methyl-amino]phenyl] 1-methylsulfonylpiperidine-3-carboxylate Openeye Name: [4-[(4-chlorophenyl)sulfonyl-methyl-amino]phenyl] 1-methylsulfonylpiperidine-3-carboxylate CAS Name: 1-methylsulfonyl-3-piperidinecarboxylic acid [4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(4-chlorophenyl)sulfonyl-methylamino]phenyl] 1-methylsulfonylpiperidine-3-carboxylate Traditional Name: 1-mesylnipecotic acid [4-[(4-chlorophenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C20H23ClN2O6S2 MolecularWeight: 486.98942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O6S2/c1-22(31(27,28)19-11-5-16(21)6-12-19)17-7-9-18(10-8-17)29-20(24)15-4-3-13-23(14-15)30(2,25)26/h5-12,15H,3-4,13-14H2,1-2H3