methyl 2-[(2S)-1-(5-chloranylthiophen-2-yl)sulfonyl-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[(2S)-1-(5-chloranylthiophen-2-yl)sulfonyl-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[(2S)-1-[(5-chloro-2-thienyl)sulfonyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-[(5-chloro-2-thiophenyl)sulfonyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-[(5-chloro-2-thienyl)sulfonyl]-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C11H13ClN2O5S2 MolecularWeight: 352.81432

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1S(=O)(=O)C2=CC=C(S2)Cl

Isomeric SMILES

COC(=O)C[C@H]1C(=O)NCCN1S(=O)(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C11H13ClN2O5S2/c1-19-9(15)6-7-11(16)13-4-5-14(7)21(17,18)10-3-2-8(12)20-10/h2-3,7H,4-6H2,1H3,(H,13,16)/t7-/m0/s1