(1S,2S)-2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]carbonylcyclohexane-1-carboxylate

Systemtic Name: (1S,2S)-2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]carbonylcyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazine-1-carbonyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazine-1-carbonyl]cyclohexanecarboxylate Formula: C16H20ClN2O5S2- MolecularWeight: 419.9234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@H](C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl)C(=O)[O-]

InChI

InChI=1S/C16H21ClN2O5S2/c17-13-5-6-14(25-13)26(23,24)19-9-7-18(8-10-19)15(20)11-3-1-2-4-12(11)16(21)22/h5-6,11-12H,1-4,7-10H2,(H,21,22)/p-1/t11-,12-/m0/s1