3-[(4-piperidin-1-ylsulfonylthiophen-2-yl)carbonylamino]benzoic acid

Systemtic Name: 3-[(4-piperidin-1-ylsulfonylthiophen-2-yl)carbonylamino]benzoic acid Openeye Name: 3-[[4-(1-piperidylsulfonyl)thiophene-2-carbonyl]amino]benzoic acid CAS Name: 3-[[oxo-[4-(1-piperidinylsulfonyl)-2-thiophenyl]methyl]amino]benzoic acid IUPAC Name: 3-[(4-piperidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid Traditional Name: 3-[(4-piperidinosulfonylthiophene-2-carbonyl)amino]benzoic acid Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C17H18N2O5S2/c20-16(18-13-6-4-5-12(9-13)17(21)22)15-10-14(11-25-15)26(23,24)19-7-2-1-3-8-19/h4-6,9-11H,1-3,7-8H2,(H,18,20)(H,21,22)