3-[[4-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[4-(4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]carbonylamino]benzoic acid Openeye Name: 3-[[4-[(4-methyl-1-piperidyl)sulfonyl]thiophene-2-carbonyl]amino]benzoic acid CAS Name: 3-[[[4-[(4-methyl-1-piperidinyl)sulfonyl]-2-thiophenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[4-(4-methylpiperidin-1-yl)sulfonylthiophene-2-carbonyl]amino]benzoic acid Traditional Name: 3-[[4-(4-methylpiperidino)sulfonylthiophene-2-carbonyl]amino]benzoic acid Formula: C18H20N2O5S2 MolecularWeight: 408.4918

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C18H20N2O5S2/c1-12-5-7-20(8-6-12)27(24,25)15-10-16(26-11-15)17(21)19-14-4-2-3-13(9-14)18(22)23/h2-4,9-12H,5-8H2,1H3,(H,19,21)(H,22,23)