4-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate

Systemtic Name: 4-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: 4-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]benzoate IUPAC Name: 4-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[(1-tosylisonipecotoyl)amino]benzoate Formula: C20H21N2O5S- MolecularWeight: 401.45614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C20H22N2O5S/c1-14-2-8-18(9-3-14)28(26,27)22-12-10-15(11-13-22)19(23)21-17-6-4-16(5-7-17)20(24)25/h2-9,15H,10-13H2,1H3,(H,21,23)(H,24,25)/p-1