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

Systemtic Name: methyl 4-chloranyl-3-[(1-methylsulfonylpiperidin-4-yl)carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]benzoate CAS Name: 4-chloro-3-[[(1-methylsulfonyl-4-piperidinyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]benzoate Traditional Name: 4-chloro-3-[(1-mesylisonipecotoyl)amino]benzoic acid methyl ester Formula: C15H19ClN2O5S MolecularWeight: 374.83976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19ClN2O5S/c1-23-15(20)11-3-4-12(16)13(9-11)17-14(19)10-5-7-18(8-6-10)24(2,21)22/h3-4,9-10H,5-8H2,1-2H3,(H,17,19)