(1S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-6-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: (1S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-6-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: (1S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-6-oxo-cyclohex-3-ene-1-carboxylate CAS Name: (1S)-3-[[4-(2-methoxyphenyl)-1-piperazinyl]sulfonyl]-6-oxo-1-cyclohex-3-enecarboxylate IUPAC Name: (1S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-6-oxocyclohex-3-ene-1-carboxylate Traditional Name: (1S)-6-keto-3-[4-(2-methoxyphenyl)piperazino]sulfonyl-cyclohex-3-ene-1-carboxylate Formula: C18H21N2O6S- MolecularWeight: 393.43414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CCC(=O)C(C3)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CCC(=O)[C@H](C3)C(=O)[O-]

InChI

InChI=1S/C18H22N2O6S/c1-26-17-5-3-2-4-15(17)19-8-10-20(11-9-19)27(24,25)13-6-7-16(21)14(12-13)18(22)23/h2-6,14H,7-12H2,1H3,(H,22,23)/p-1/t14-/m0/s1