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

Systemtic Name: 3-[4-(diphenylmethyl)piperazin-1-yl]propane-1-sulfonic acid Openeye Name: 3-(4-benzhydrylpiperazin-1-yl)propane-1-sulfonic acid CAS Name: 3-[4-(diphenylmethyl)-1-piperazinyl]-1-propanesulfonic acid IUPAC Name: 3-(4-benzhydrylpiperazin-1-yl)propane-1-sulfonic acid Traditional Name: 3-(4-benzhydrylpiperazino)propane-1-sulfonic acid Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCS(=O)(=O)O)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CCCS(=O)(=O)O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H26N2O3S/c23-26(24,25)17-7-12-21-13-15-22(16-14-21)20(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2,(H,23,24,25)