methyl 2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: methyl 2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)sulfonylbenzoate Openeye Name: methyl 2-[4-(2-thienylsulfonyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 2-[(4-thiophen-2-ylsulfonyl-1-piperazinyl)sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 2-[4-(2-thienylsulfonyl)piperazino]sulfonylbenzoic acid methyl ester Formula: C16H18N2O6S3 MolecularWeight: 430.51892

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H18N2O6S3/c1-24-16(19)13-5-2-3-6-14(13)26(20,21)17-8-10-18(11-9-17)27(22,23)15-7-4-12-25-15/h2-7,12H,8-11H2,1H3