2-[4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]butyl]isoindoline-1,3-quinone Formula: C24H28N3O4S+ MolecularWeight: 454.56182

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCCCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C24H27N3O4S/c28-23-21-10-4-5-11-22(21)24(29)27(23)14-7-6-13-25-15-17-26(18-16-25)32(30,31)19-12-20-8-2-1-3-9-20/h1-5,8-12,19H,6-7,13-18H2/p+1/b19-12+