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

Systemtic Name: methyl 4-chloranyl-3-[(3-piperidin-1-ylsulfonylphenyl)carbonylamino]benzoate Openeye Name: methyl 4-chloro-3-[[3-(1-piperidylsulfonyl)benzoyl]amino]benzoate CAS Name: 4-chloro-3-[[oxo-[3-(1-piperidinylsulfonyl)phenyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzoate Traditional Name: 4-chloro-3-[(3-piperidinosulfonylbenzoyl)amino]benzoic acid methyl ester Formula: C20H21ClN2O5S MolecularWeight: 436.90914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H21ClN2O5S/c1-28-20(25)15-8-9-17(21)18(13-15)22-19(24)14-6-5-7-16(12-14)29(26,27)23-10-3-2-4-11-23/h5-9,12-13H,2-4,10-11H2,1H3,(H,22,24)