1-[2-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[2-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[2-[4-[(4-methyl-1-piperidyl)sulfonyl]anilino]-2-oxo-ethyl]cyclohexanecarboxylic acid CAS Name: 1-[2-[4-[(4-methyl-1-piperidinyl)sulfonyl]anilino]-2-oxoethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[2-[4-(4-methylpiperidin-1-yl)sulfonylanilino]-2-oxoethyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[2-keto-2-[4-(4-methylpiperidino)sulfonylanilino]ethyl]cyclohexanecarboxylic acid Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3(CCCCC3)C(=O)O

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC3(CCCCC3)C(=O)O

InChI

InChI=1S/C21H30N2O5S/c1-16-9-13-23(14-10-16)29(27,28)18-7-5-17(6-8-18)22-19(24)15-21(20(25)26)11-3-2-4-12-21/h5-8,16H,2-4,9-15H2,1H3,(H,22,24)(H,25,26)