[4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] (3S)-1-methylsulfonylpiperidine-3-carboxylate

Systemtic Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] (3S)-1-methylsulfonylpiperidine-3-carboxylate Openeye Name: [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] (3S)-1-methylsulfonylpiperidine-3-carboxylate CAS Name: (3S)-1-methylsulfonyl-3-piperidinecarboxylic acid [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] ester IUPAC Name: [4-[(3,4-dimethylphenyl)sulfonyl-methylamino]phenyl] (3S)-1-methylsulfonylpiperidine-3-carboxylate Traditional Name: (3S)-1-mesylnipecotic acid [4-[(3,4-dimethylphenyl)sulfonyl-methyl-amino]phenyl] ester Formula: C22H28N2O6S2 MolecularWeight: 480.59752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)C3CCCN(C3)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC(=O)[C@H]3CCCN(C3)S(=O)(=O)C)C

InChI

InChI=1S/C22H28N2O6S2/c1-16-7-12-21(14-17(16)2)32(28,29)23(3)19-8-10-20(11-9-19)30-22(25)18-6-5-13-24(15-18)31(4,26)27/h7-12,14,18H,5-6,13,15H2,1-4H3/t18-/m0/s1