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

Systemtic Name: 4-methyl-3-[(4-pyrrolidin-1-ylsulfonylthiophen-2-yl)carbonylamino]benzoic acid Openeye Name: 4-methyl-3-[(4-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid CAS Name: 4-methyl-3-[[oxo-[4-(1-pyrrolidinylsulfonyl)-2-thiophenyl]methyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[(4-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid Traditional Name: 4-methyl-3-[(4-pyrrolidinosulfonylthiophene-2-carbonyl)amino]benzoic acid Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=CC(=CS2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=CC(=CS2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C17H18N2O5S2/c1-11-4-5-12(17(21)22)8-14(11)18-16(20)15-9-13(10-25-15)26(23,24)19-6-2-3-7-19/h4-5,8-10H,2-3,6-7H2,1H3,(H,18,20)(H,21,22)