1-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[(4-chloranyl-3-piperidin-1-ylsulfonyl-phenyl)carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 1-[[4-chloro-3-(1-piperidylsulfonyl)benzoyl]amino]cyclohexanecarboxylic acid CAS Name: 1-[[[4-chloro-3-(1-piperidinylsulfonyl)phenyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[(4-chloro-3-piperidin-1-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid Traditional Name: 1-[(4-chloro-3-piperidinosulfonyl-benzoyl)amino]cyclohexanecarboxylic acid Formula: C19H25ClN2O5S MolecularWeight: 428.9302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25ClN2O5S/c20-15-8-7-14(13-16(15)28(26,27)22-11-5-2-6-12-22)17(23)21-19(18(24)25)9-3-1-4-10-19/h7-8,13H,1-6,9-12H2,(H,21,23)(H,24,25)