(1R,6S)-3,4-dimethyl-6-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]carbonyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1R,6S)-3,4-dimethyl-6-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]carbonyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: (1R,6S)-6-[4-(4-isopropylphenyl)sulfonylpiperazine-1-carbonyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylic acid CAS Name: (1R,6S)-3,4-dimethyl-6-[oxo-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1R,6S)-3,4-dimethyl-6-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1R,6S)-3,4-dimethyl-6-(4-p-cumenylsulfonylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid Formula: C23H32N2O5S MolecularWeight: 448.57558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C)C(=O)O)C

Isomeric SMILES

CC1=C(C[C@H]([C@H](C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C)C(=O)O)C

InChI

InChI=1S/C23H32N2O5S/c1-15(2)18-5-7-19(8-6-18)31(29,30)25-11-9-24(10-12-25)22(26)20-13-16(3)17(4)14-21(20)23(27)28/h5-8,15,20-21H,9-14H2,1-4H3,(H,27,28)/t20-,21+/m0/s1