methyl (3S)-1-[4-[(3,4-dichlorophenyl)methylamino]phenyl]sulfonylpiperidine-3-carboxylate

Systemtic Name: methyl (3S)-1-[4-[(3,4-dichlorophenyl)methylamino]phenyl]sulfonylpiperidine-3-carboxylate Openeye Name: methyl (3S)-1-[4-[(3,4-dichlorophenyl)methylamino]phenyl]sulfonylpiperidine-3-carboxylate CAS Name: (3S)-1-[4-[(3,4-dichlorophenyl)methylamino]phenyl]sulfonyl-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl (3S)-1-[4-[(3,4-dichlorophenyl)methylamino]phenyl]sulfonylpiperidine-3-carboxylate Traditional Name: (3S)-1-[4-[(3,4-dichlorobenzyl)amino]phenyl]sulfonylnipecotic acid methyl ester Formula: C20H22Cl2N2O4S MolecularWeight: 457.37068

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

COC(=O)[C@H]1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H22Cl2N2O4S/c1-28-20(25)15-3-2-10-24(13-15)29(26,27)17-7-5-16(6-8-17)23-12-14-4-9-18(21)19(22)11-14/h4-9,11,15,23H,2-3,10,12-13H2,1H3/t15-/m0/s1