4-[[(4-pyrrolidin-1-ylsulfonylthiophen-2-yl)carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[(4-pyrrolidin-1-ylsulfonylthiophen-2-yl)carbonylamino]methyl]benzoic acid Openeye Name: 4-[[(4-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]methyl]benzoic acid CAS Name: 4-[[[oxo-[4-(1-pyrrolidinylsulfonyl)-2-thiophenyl]methyl]amino]methyl]benzoic acid IUPAC Name: 4-[[(4-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]methyl]benzoic acid Traditional Name: 4-[[(4-pyrrolidinosulfonylthiophene-2-carbonyl)amino]methyl]benzoic acid Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CSC(=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CSC(=C2)C(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H18N2O5S2/c20-16(18-10-12-3-5-13(6-4-12)17(21)22)15-9-14(11-25-15)26(23,24)19-7-1-2-8-19/h3-6,9,11H,1-2,7-8,10H2,(H,18,20)(H,21,22)