methyl 3-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 3-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]carbonylbenzoate Openeye Name: methyl 3-[4-[(5-chloro-2-thienyl)sulfonyl]piperazine-1-carbonyl]benzoate CAS Name: 3-[[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbonyl]benzoate Traditional Name: 3-[4-[(5-chloro-2-thienyl)sulfonyl]piperazine-1-carbonyl]benzoic acid methyl ester Formula: C17H17ClN2O5S2 MolecularWeight: 428.91028

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C17H17ClN2O5S2/c1-25-17(22)13-4-2-3-12(11-13)16(21)19-7-9-20(10-8-19)27(23,24)15-6-5-14(18)26-15/h2-6,11H,7-10H2,1H3