methyl 2-[[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 2-[[1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate CAS Name: 2-[[[1-[(2-chlorophenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[1-[(2-chlorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 2-[[1-(2-chlorobenzyl)sulfonylisonipecotoyl]amino]benzoic acid methyl ester Formula: C21H23ClN2O5S MolecularWeight: 450.93572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3Cl

InChI

InChI=1S/C21H23ClN2O5S/c1-29-21(26)17-7-3-5-9-19(17)23-20(25)15-10-12-24(13-11-15)30(27,28)14-16-6-2-4-8-18(16)22/h2-9,15H,10-14H2,1H3,(H,23,25)