sodium 3-[4-(diphenylmethyl)piperazin-1-yl]propane-1-sulfonate

Systemtic Name: sodium 3-[4-(diphenylmethyl)piperazin-1-yl]propane-1-sulfonate Openeye Name: sodium 3-(4-benzhydrylpiperazin-1-yl)propane-1-sulfonate CAS Name: sodium 3-[4-(diphenylmethyl)-1-piperazinyl]-1-propanesulfonate IUPAC Name: sodium 3-(4-benzhydrylpiperazin-1-yl)propane-1-sulfonate Traditional Name: sodium 3-(4-benzhydrylpiperazino)propane-1-sulfonate Formula: C20H25N2NaO3S MolecularWeight: 396.47887

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCS(=O)(=O)[O-])C(C2=CC=CC=C2)C3=CC=CC=C3.[Na+]

Isomeric SMILES

C1CN(CCN1CCCS(=O)(=O)[O-])C(C2=CC=CC=C2)C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C20H26N2O3S.Na/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);/q;+1/p-1