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

Systemtic Name: 4-methyl-3-[(5-methyl-4-pyrrolidin-1-ylsulfonyl-thiophen-2-yl)carbonylamino]benzoic acid Openeye Name: 4-methyl-3-[(5-methyl-4-pyrrolidin-1-ylsulfonyl-thiophene-2-carbonyl)amino]benzoic acid CAS Name: 4-methyl-3-[[[5-methyl-4-(1-pyrrolidinylsulfonyl)-2-thiophenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[(5-methyl-4-pyrrolidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid Traditional Name: 4-methyl-3-[(5-methyl-4-pyrrolidinosulfonyl-thiophene-2-carbonyl)amino]benzoic acid Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=CC(=C(S2)C)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=CC(=C(S2)C)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C18H20N2O5S2/c1-11-5-6-13(18(22)23)9-14(11)19-17(21)15-10-16(12(2)26-15)27(24,25)20-7-3-4-8-20/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,19,21)(H,22,23)