(Z)-2-(4-chlorophenyl)sulfonyl-3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]prop-2-enenitrile

Systemtic Name: (Z)-2-(4-chlorophenyl)sulfonyl-3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]prop-2-enenitrile Openeye Name: (Z)-3-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(4-chlorophenyl)sulfonyl-prop-2-enenitrile CAS Name: (Z)-2-(4-chlorophenyl)sulfonyl-3-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-propenenitrile IUPAC Name: (Z)-3-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(4-chlorophenyl)sulfonylprop-2-enenitrile Traditional Name: (Z)-3-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(4-chlorophenyl)sulfonyl-acrylonitrile Formula: C26H25ClN3O2S+ MolecularWeight: 479.0136

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C=C(C#N)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)/C=C(/C#N)\S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H24ClN3O2S/c27-23-11-13-24(14-12-23)33(31,32)25(19-28)20-29-15-17-30(18-16-29)26(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,20,26H,15-18H2/p+1/b25-20-