(1S,6S)-6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]carbonylcyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6S)-6-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]carbonylcyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6S)-6-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6S)-6-[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6S)-6-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6S)-6-[4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C3CC=CCC3C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)[C@H]3CC=CC[C@@H]3C(=O)O

InChI

InChI=1S/C20H26N2O5S/c1-14-7-8-15(2)18(13-14)28(26,27)22-11-9-21(10-12-22)19(23)16-5-3-4-6-17(16)20(24)25/h3-4,7-8,13,16-17H,5-6,9-12H2,1-2H3,(H,24,25)/t16-,17-/m0/s1