2-[4-(diphenylmethyl)piperazin-1-yl]carbonylbenzenesulfonic acid

Systemtic Name: 2-[4-(diphenylmethyl)piperazin-1-yl]carbonylbenzenesulfonic acid Openeye Name: 2-(4-benzhydrylpiperazine-1-carbonyl)benzenesulfonic acid CAS Name: 2-[[4-(diphenylmethyl)-1-piperazinyl]-oxomethyl]benzenesulfonic acid IUPAC Name: 2-(4-benzhydrylpiperazine-1-carbonyl)benzenesulfonic acid Traditional Name: 2-(4-benzhydrylpiperazine-1-carbonyl)besylic 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)C(=O)C4=CC=CC=C4S(=O)(=O)O

Isomeric SMILES

C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4S(=O)(=O)O

InChI

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