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

Systemtic Name: 3-[4-(diphenylmethyl)piperazin-1-yl]sulfonylbenzoic acid Openeye Name: 3-(4-benzhydrylpiperazin-1-yl)sulfonylbenzoic acid CAS Name: 3-[[4-(diphenylmethyl)-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 3-(4-benzhydrylpiperazin-1-yl)sulfonylbenzoic acid Traditional Name: 3-(4-benzhydrylpiperazino)sulfonylbenzoic acid Formula: C24H24N2O4S MolecularWeight: 436.52336

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C24H24N2O4S/c27-24(28)21-12-7-13-22(18-21)31(29,30)26-16-14-25(15-17-26)23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,18,23H,14-17H2,(H,27,28)