5-chloranyl-2-methoxy-4-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]benzoic acid

Systemtic Name: 5-chloranyl-2-methoxy-4-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]benzoic acid Openeye Name: 5-chloro-2-methoxy-4-[[1-(2-thienylsulfonyl)piperidine-4-carbonyl]amino]benzoic acid CAS Name: 5-chloro-2-methoxy-4-[[oxo-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methyl]amino]benzoic acid IUPAC Name: 5-chloro-2-methoxy-4-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]benzoic acid Traditional Name: 5-chloro-2-methoxy-4-[[1-(2-thienylsulfonyl)isonipecotoyl]amino]benzoic acid Formula: C18H19ClN2O6S2 MolecularWeight: 458.93626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)O)Cl)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)O)Cl)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H19ClN2O6S2/c1-27-15-10-14(13(19)9-12(15)18(23)24)20-17(22)11-4-6-21(7-5-11)29(25,26)16-3-2-8-28-16/h2-3,8-11H,4-7H2,1H3,(H,20,22)(H,23,24)