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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

C[C@H]1CCCN(C1)S(=O)(=O)C2=CSC(=C2)C(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C18H20N2O5S2/c1-12-5-4-8-20(10-12)27(24,25)13-9-16(26-11-13)17(21)19-15-7-3-2-6-14(15)18(22)23/h2-3,6-7,9,11-12H,4-5,8,10H2,1H3,(H,19,21)(H,22,23)/t12-/m0/s1