4-[[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[4-(6-chloranylnaphthalen-2-yl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-oxo-piperazin-1-yl]methyl]cyclohexanecarboxylic acid CAS Name: 4-[[4-[(6-chloro-2-naphthalenyl)sulfonyl]-2-oxo-1-piperazinyl]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[4-(6-chloronaphthalen-2-yl)sulfonyl-2-oxopiperazin-1-yl]methyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-keto-piperazino]methyl]cyclohexanecarboxylic acid Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1CC(CCC1CN2CCN(CC2=O)S(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C22H25ClN2O5S/c23-19-7-5-18-12-20(8-6-17(18)11-19)31(29,30)25-10-9-24(21(26)14-25)13-15-1-3-16(4-2-15)22(27)28/h5-8,11-12,15-16H,1-4,9-10,13-14H2,(H,27,28)