(1R,6S)-6-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]carbonyl-3,4-dimethyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: (1R,6S)-6-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]carbonyl-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Openeye Name: (1R,6S)-6-[4-[(5-chloro-2-thienyl)sulfonyl]piperazine-1-carbonyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate CAS Name: (1R,6S)-6-[[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-oxomethyl]-3,4-dimethyl-1-cyclohex-3-enecarboxylate IUPAC Name: (1R,6S)-6-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate Traditional Name: (1R,6S)-6-[4-[(5-chloro-2-thienyl)sulfonyl]piperazine-1-carbonyl]-3,4-dimethyl-cyclohex-3-ene-1-carboxylate Formula: C18H22ClN2O5S2- MolecularWeight: 445.96068

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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(S3)Cl)C(=O)[O-])C

Isomeric SMILES

CC1=C(C[C@H]([C@H](C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl)C(=O)[O-])C

InChI

InChI=1S/C18H23ClN2O5S2/c1-11-9-13(14(18(23)24)10-12(11)2)17(22)20-5-7-21(8-6-20)28(25,26)16-4-3-15(19)27-16/h3-4,13-14H,5-10H2,1-2H3,(H,23,24)/p-1/t13-,14+/m0/s1