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

Systemtic Name: 4-methyl-3-[(4-piperidin-1-ylsulfonylthiophen-2-yl)carbonylamino]benzoic acid Openeye Name: 4-methyl-3-[[4-(1-piperidylsulfonyl)thiophene-2-carbonyl]amino]benzoic acid CAS Name: 4-methyl-3-[[oxo-[4-(1-piperidinylsulfonyl)-2-thiophenyl]methyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[(4-piperidin-1-ylsulfonylthiophene-2-carbonyl)amino]benzoic acid Traditional Name: 4-methyl-3-[(4-piperidinosulfonylthiophene-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(=CS2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=CC(=CS2)S(=O)(=O)N3CCCCC3

InChI

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