3-[4-(2-cyanophenyl)piperazin-1-yl]sulfonylbenzoic acid

Systemtic Name: 3-[4-(2-cyanophenyl)piperazin-1-yl]sulfonylbenzoic acid Openeye Name: 3-[4-(2-cyanophenyl)piperazin-1-yl]sulfonylbenzoic acid CAS Name: 3-[[4-(2-cyanophenyl)-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 3-[4-(2-cyanophenyl)piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 3-[4-(2-cyanophenyl)piperazino]sulfonylbenzoic acid Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2C#N)S(=O)(=O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2C#N)S(=O)(=O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C18H17N3O4S/c19-13-15-4-1-2-7-17(15)20-8-10-21(11-9-20)26(24,25)16-6-3-5-14(12-16)18(22)23/h1-7,12H,8-11H2,(H,22,23)