3-[5-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-2-methyl-benzimidazol-1-yl]propane-1-sulfonate

Systemtic Name: 3-[5-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-2-methyl-benzimidazol-1-yl]propane-1-sulfonate Openeye Name: 3-[5-[(4-benzhydrylpiperazin-1-yl)methyl]-2-methyl-benzimidazol-1-yl]propane-1-sulfonate CAS Name: 3-[5-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-2-methyl-1-benzimidazolyl]-1-propanesulfonate IUPAC Name: 3-[5-[(4-benzhydrylpiperazin-1-yl)methyl]-2-methylbenzimidazol-1-yl]propane-1-sulfonate Traditional Name: 3-[5-[(4-benzhydrylpiperazino)methyl]-2-methyl-benzimidazol-1-yl]propane-1-sulfonate Formula: C29H33N4O3S- MolecularWeight: 517.66232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CCCS(=O)(=O)[O-])C=CC(=C2)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C(N1CCCS(=O)(=O)[O-])C=CC(=C2)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H34N4O3S/c1-23-30-27-21-24(13-14-28(27)33(23)15-8-20-37(34,35)36)22-31-16-18-32(19-17-31)29(25-9-4-2-5-10-25)26-11-6-3-7-12-26/h2-7,9-14,21,29H,8,15-20,22H2,1H3,(H,34,35,36)/p-1