(1R,6S)-3,4-dimethyl-6-(4-methylsulfonylpiperazin-1-yl)carbonyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6S)-3,4-dimethyl-6-(4-methylsulfonylpiperazin-1-yl)carbonyl-cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-3,4-dimethyl-6-(4-methylsulfonylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-3,4-dimethyl-6-[(4-methylsulfonyl-1-piperazinyl)-oxomethyl]-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-3,4-dimethyl-6-(4-methylsulfonylpiperazine-1-carbonyl)cyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-(4-mesylpiperazine-1-carbonyl)-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Formula: C15H23N2O5S- MolecularWeight: 343.41852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(C(C1)C(=O)N2CCN(CC2)S(=O)(=O)C)C(=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C15H24N2O5S/c1-10-8-12(13(15(19)20)9-11(10)2)14(18)16-4-6-17(7-5-16)23(3,21)22/h12-13H,4-9H2,1-3H3,(H,19,20)/p-1/t12-,13+/m0/s1