methyl 4-chloranyl-3-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[[1-(phenylsulfonyl)piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-4-chloro-benzoate CAS Name: 3-[[[1-(benzenesulfonyl)-4-piperidinyl]-oxomethyl]amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-[[1-(benzenesulfonyl)piperidine-4-carbonyl]amino]-4-chlorobenzoate Traditional Name: 3-[(1-besylisonipecotoyl)amino]-4-chloro-benzoic acid methyl ester Formula: C20H21ClN2O5S MolecularWeight: 436.90914

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21ClN2O5S/c1-28-20(25)15-7-8-17(21)18(13-15)22-19(24)14-9-11-23(12-10-14)29(26,27)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3,(H,22,24)