methyl 4-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethylcarbamoyl]benzoate

Systemtic Name: methyl 4-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethylcarbamoyl]benzoate Openeye Name: methyl 4-[2-[1-(p-tolylsulfonyl)-2-piperidyl]ethylcarbamoyl]benzoate CAS Name: 4-[[2-[1-(4-methylphenyl)sulfonyl-2-piperidinyl]ethylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethylcarbamoyl]benzoate Traditional Name: 4-[2-(1-tosyl-2-piperidyl)ethylcarbamoyl]benzoic acid methyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CCNC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CCNC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H28N2O5S/c1-17-6-12-21(13-7-17)31(28,29)25-16-4-3-5-20(25)14-15-24-22(26)18-8-10-19(11-9-18)23(27)30-2/h6-13,20H,3-5,14-16H2,1-2H3,(H,24,26)