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

Systemtic Name: methyl 4-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate Openeye Name: methyl 4-[[4-chloro-3-(1-piperidylsulfonyl)benzoyl]amino]benzoate CAS Name: 4-[[[4-chloro-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-chloro-3-piperidin-1-ylsulfonylbenzoyl)amino]benzoate Traditional Name: 4-[(4-chloro-3-piperidinosulfonyl-benzoyl)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)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

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

InChI

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