N-(3,3-diphenylpropyl)-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-2-amine

Systemtic Name: N-(3,3-diphenylpropyl)-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-2-amine Openeye Name: N-(3,3-diphenylpropyl)-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-2-amine CAS Name: N-(3,3-diphenylpropyl)-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinamine IUPAC Name: N-(3,3-diphenylpropyl)-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-amine Traditional Name: 3,3-diphenylpropyl-[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]amine Formula: C25H31N4O2S+ MolecularWeight: 451.60424

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)NCCC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)NCCC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2S/c1-28-16-18-29(19-17-28)32(30,31)23-12-13-25(27-20-23)26-15-14-24(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,20,24H,14-19H2,1H3,(H,26,27)/p+1