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

Systemtic Name: (E)-2-tert-butylsulfonyl-3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]prop-2-enenitrile Openeye Name: (E)-3-(4-benzhydrylpiperazin-4-ium-1-yl)-2-tert-butylsulfonyl-prop-2-enenitrile CAS Name: (E)-2-tert-butylsulfonyl-3-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-propenenitrile IUPAC Name: (E)-3-(4-benzhydrylpiperazin-4-ium-1-yl)-2-tert-butylsulfonylprop-2-enenitrile Traditional Name: (E)-3-(4-benzhydrylpiperazin-4-ium-1-yl)-2-tert-butylsulfonyl-acrylonitrile Formula: C24H30N3O2S+ MolecularWeight: 424.5789

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)C(=CN1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)C#N

Isomeric SMILES

CC(C)(C)S(=O)(=O)/C(=C/N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)/C#N

InChI

InChI=1S/C24H29N3O2S/c1-24(2,3)30(28,29)22(18-25)19-26-14-16-27(17-15-26)23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,19,23H,14-17H2,1-3H3/p+1/b22-19+