3-[(5-methyl-4-pyrrolidin-1-ylsulfonyl-thiophen-2-yl)carbonylamino]benzoic acid

Systemtic Name: 3-[(5-methyl-4-pyrrolidin-1-ylsulfonyl-thiophen-2-yl)carbonylamino]benzoic acid Openeye Name: 3-[(5-methyl-4-pyrrolidin-1-ylsulfonyl-thiophene-2-carbonyl)amino]benzoic acid CAS Name: 3-[[[5-methyl-4-(1-pyrrolidinylsulfonyl)-2-thiophenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid Traditional Name: 3-[(5-methyl-4-pyrrolidinosulfonyl-thiophene-2-carbonyl)amino]benzoic acid Formula: C17H18N2O5S2 MolecularWeight: 394.46522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C(=O)NC2=CC=CC(=C2)C(=O)O)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=C(S1)C(=O)NC2=CC=CC(=C2)C(=O)O)S(=O)(=O)N3CCCC3

InChI

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