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

Systemtic Name: 3-[4-(phenylmethyl)piperazin-1-yl]sulfonylbenzoic acid Openeye Name: 3-(4-benzylpiperazin-1-yl)sulfonylbenzoic acid CAS Name: 3-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 3-(4-benzylpiperazin-1-yl)sulfonylbenzoic acid Traditional Name: 3-(4-benzylpiperazino)sulfonylbenzoic acid Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C18H20N2O4S/c21-18(22)16-7-4-8-17(13-16)25(23,24)20-11-9-19(10-12-20)14-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2,(H,21,22)