1-[2-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[2-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[2-[4-chloro-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl]cyclohexanecarboxylic acid CAS Name: 1-[2-[4-chloro-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[2-(4-chloro-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[2-(4-chloro-3-piperidinosulfonyl-anilino)-2-keto-ethyl]cyclohexanecarboxylic acid Formula: C20H27ClN2O5S MolecularWeight: 442.95678

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3)C(=O)O

Isomeric SMILES

C1CCC(CC1)(CC(=O)NC2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3)C(=O)O

InChI

InChI=1S/C20H27ClN2O5S/c21-16-8-7-15(13-17(16)29(27,28)23-11-5-2-6-12-23)22-18(24)14-20(19(25)26)9-3-1-4-10-20/h7-8,13H,1-6,9-12,14H2,(H,22,24)(H,25,26)