4-chloranyl-3-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]benzoic acid

Systemtic Name: 4-chloranyl-3-[(1-thiophen-2-ylsulfonylpiperidin-4-yl)carbonylamino]benzoic acid Openeye Name: 4-chloro-3-[[1-(2-thienylsulfonyl)piperidine-4-carbonyl]amino]benzoic acid CAS Name: 4-chloro-3-[[oxo-(1-thiophen-2-ylsulfonyl-4-piperidinyl)methyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]benzoic acid Traditional Name: 4-chloro-3-[[1-(2-thienylsulfonyl)isonipecotoyl]amino]benzoic acid Formula: C17H17ClN2O5S2 MolecularWeight: 428.91028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=C(C=CC(=C2)C(=O)O)Cl)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCC1C(=O)NC2=C(C=CC(=C2)C(=O)O)Cl)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C17H17ClN2O5S2/c18-13-4-3-12(17(22)23)10-14(13)19-16(21)11-5-7-20(8-6-11)27(24,25)15-2-1-9-26-15/h1-4,9-11H,5-8H2,(H,19,21)(H,22,23)