methyl 3-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate

Systemtic Name: methyl 3-[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]benzoate Openeye Name: methyl 3-[[2-chloro-5-(1-piperidylsulfonyl)benzoyl]amino]benzoate CAS Name: 3-[[[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)amino]benzoate Traditional Name: 3-[(2-chloro-5-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(=CC=C1)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl

Isomeric SMILES

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

InChI

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