[4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]carbonylphenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]carbonylphenyl] 3-nitrobenzenesulfonate Openeye Name: [4-(4-thiazol-2-ylpiperazine-1-carbonyl)phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-[4-(2-thiazolyl)-1-piperazinyl]methyl]phenyl] ester IUPAC Name: [4-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(4-thiazol-2-ylpiperazine-1-carbonyl)phenyl] ester Formula: C20H18N4O6S2 MolecularWeight: 474.51012

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CS2)C(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC=CS2)C(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O6S2/c25-19(22-9-11-23(12-10-22)20-21-8-13-31-20)15-4-6-17(7-5-15)30-32(28,29)18-3-1-2-16(14-18)24(26)27/h1-8,13-14H,9-12H2