1-[4-[(5-ethyl-4-methyl-thiophen-2-yl)carbonylamino]phenyl]sulfonylpiperidine-3-carboxylic acid

Systemtic Name: 1-[4-[(5-ethyl-4-methyl-thiophen-2-yl)carbonylamino]phenyl]sulfonylpiperidine-3-carboxylic acid Openeye Name: 1-[4-[(5-ethyl-4-methyl-thiophene-2-carbonyl)amino]phenyl]sulfonylpiperidine-3-carboxylic acid CAS Name: 1-[4-[[(5-ethyl-4-methyl-2-thiophenyl)-oxomethyl]amino]phenyl]sulfonyl-3-piperidinecarboxylic acid IUPAC Name: 1-[4-[(5-ethyl-4-methylthiophene-2-carbonyl)amino]phenyl]sulfonylpiperidine-3-carboxylic acid Traditional Name: 1-[4-[(5-ethyl-4-methyl-thiophene-2-carbonyl)amino]phenyl]sulfonylnipecotic acid Formula: C20H24N2O5S2 MolecularWeight: 436.54496

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(S1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)O)C

Isomeric SMILES

CCC1=C(C=C(S1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC(C3)C(=O)O)C

InChI

InChI=1S/C20H24N2O5S2/c1-3-17-13(2)11-18(28-17)19(23)21-15-6-8-16(9-7-15)29(26,27)22-10-4-5-14(12-22)20(24)25/h6-9,11,14H,3-5,10,12H2,1-2H3,(H,21,23)(H,24,25)