5-[[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)carbonylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[2-chloro-5-(1-piperidylsulfonyl)benzoyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[[2-chloro-5-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[(2-chloro-5-piperidinosulfonyl-benzoyl)amino]methyl]-2-methoxy-benzoic acid Formula: C21H23ClN2O6S MolecularWeight: 466.93512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl)C(=O)O

InChI

InChI=1S/C21H23ClN2O6S/c1-30-19-8-5-14(11-17(19)21(26)27)13-23-20(25)16-12-15(6-7-18(16)22)31(28,29)24-9-3-2-4-10-24/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,23,25)(H,26,27)