(E)-3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: (E)-3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: (E)-2-(benzenesulfonyl)-3-(4-benzhydrylpiperazin-4-ium-1-yl)prop-2-enenitrile CAS Name: (E)-2-(benzenesulfonyl)-3-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-propenenitrile IUPAC Name: (E)-2-(benzenesulfonyl)-3-(4-benzhydrylpiperazin-4-ium-1-yl)prop-2-enenitrile Traditional Name: (E)-3-(4-benzhydrylpiperazin-4-ium-1-yl)-2-besyl-acrylonitrile Formula: C26H26N3O2S+ MolecularWeight: 444.56854

Click to see the large picture

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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H25N3O2S/c27-20-25(32(30,31)24-14-8-3-9-15-24)21-28-16-18-29(19-17-28)26(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-15,21,26H,16-19H2/p+1/b25-21+