3-(phenylsulfonyl)propyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: 3-(phenylsulfonyl)propyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 3-(benzenesulfonyl)propyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarboxylic acid 3-(benzenesulfonyl)propyl ester IUPAC Name: 3-(benzenesulfonyl)propyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonylisonipecotic acid 3-besylpropyl ester Formula: C23H29NO6S2 MolecularWeight: 479.60946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCCCS(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCCCS(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C23H29NO6S2/c1-18-9-10-22(17-19(18)2)32(28,29)24-13-11-20(12-14-24)23(25)30-15-6-16-31(26,27)21-7-4-3-5-8-21/h3-5,7-10,17,20H,6,11-16H2,1-2H3