methyl 4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: methyl 4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylbenzoate Openeye Name: methyl 4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylbenzoate CAS Name: 4-[[4-(2-pyrazinyl)-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 4-(4-pyrazin-2-ylpiperazino)sulfonylbenzoic acid methyl ester Formula: C16H18N4O4S MolecularWeight: 362.40352

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=CN=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=CN=C3

InChI

InChI=1S/C16H18N4O4S/c1-24-16(21)13-2-4-14(5-3-13)25(22,23)20-10-8-19(9-11-20)15-12-17-6-7-18-15/h2-7,12H,8-11H2,1H3