3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylbenzoic acid

Systemtic Name: 3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylbenzoic acid Openeye Name: 3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylbenzoic acid CAS Name: 3-[[4-(4-nitrophenyl)-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 3-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 3-[4-(4-nitrophenyl)piperazino]sulfonylbenzoic acid Formula: C17H17N3O6S MolecularWeight: 391.39838

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C17H17N3O6S/c21-17(22)13-2-1-3-16(12-13)27(25,26)19-10-8-18(9-11-19)14-4-6-15(7-5-14)20(23)24/h1-7,12H,8-11H2,(H,21,22)