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

Systemtic Name: 4-[(1-thiophen-2-ylsulfonylpiperidin-3-yl)carbonylamino]benzoic acid Openeye Name: 4-[[1-(2-thienylsulfonyl)piperidine-3-carbonyl]amino]benzoic acid CAS Name: 4-[[oxo-(1-thiophen-2-ylsulfonyl-3-piperidinyl)methyl]amino]benzoic acid IUPAC Name: 4-[(1-thiophen-2-ylsulfonylpiperidine-3-carbonyl)amino]benzoic acid Traditional Name: 4-[[1-(2-thienylsulfonyl)nipecotoyl]amino]benzoic acid Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H18N2O5S2/c20-16(18-14-7-5-12(6-8-14)17(21)22)13-3-1-9-19(11-13)26(23,24)15-4-2-10-25-15/h2,4-8,10,13H,1,3,9,11H2,(H,18,20)(H,21,22)