methyl 4-chloranyl-3-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[[1-(p-tolylsulfonyl)piperidine-4-carbonyl]amino]benzoate CAS Name: 4-chloro-3-[[[1-(4-methylphenyl)sulfonyl-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate Traditional Name: 4-chloro-3-[(1-tosylisonipecotoyl)amino]benzoic acid methyl ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)Cl

InChI

InChI=1S/C21H23ClN2O5S/c1-14-3-6-17(7-4-14)30(27,28)24-11-9-15(10-12-24)20(25)23-19-13-16(21(26)29-2)5-8-18(19)22/h3-8,13,15H,9-12H2,1-2H3,(H,23,25)