1-[2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid

Systemtic Name: 1-[2-[(2-chloranyl-5-pyrrolidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[2-(2-chloro-5-pyrrolidin-1-ylsulfonyl-anilino)-2-oxo-ethyl]cyclohexanecarboxylic acid CAS Name: 1-[2-[2-chloro-5-(1-pyrrolidinylsulfonyl)anilino]-2-oxoethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[2-(2-chloro-5-pyrrolidin-1-ylsulfonylanilino)-2-oxoethyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[2-(2-chloro-5-pyrrolidinosulfonyl-anilino)-2-keto-ethyl]cyclohexanecarboxylic acid Formula: C19H25ClN2O5S MolecularWeight: 428.9302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl)C(=O)O

Isomeric SMILES

C1CCC(CC1)(CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)Cl)C(=O)O

InChI

InChI=1S/C19H25ClN2O5S/c20-15-7-6-14(28(26,27)22-10-4-5-11-22)12-16(15)21-17(23)13-19(18(24)25)8-2-1-3-9-19/h6-7,12H,1-5,8-11,13H2,(H,21,23)(H,24,25)