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

Systemtic Name: methyl 4-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-[(5-bromo-2-thienyl)sulfonyl]piperazine-1-carbonyl]benzoate CAS Name: 4-[[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(5-bromothiophen-2-yl)sulfonylpiperazine-1-carbonyl]benzoate Traditional Name: 4-[4-[(5-bromo-2-thienyl)sulfonyl]piperazine-1-carbonyl]benzoic acid methyl ester Formula: C17H17BrN2O5S2 MolecularWeight: 473.36128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN2O5S2/c1-25-17(22)13-4-2-12(3-5-13)16(21)19-8-10-20(11-9-19)27(23,24)15-7-6-14(18)26-15/h2-7H,8-11H2,1H3