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

Systemtic Name: 1-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 1-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]indoline-2,3-dione CAS Name: 1-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 1-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]indole-2,3-dione Traditional Name: 1-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]isatin Formula: C21H22N3O4S+ MolecularWeight: 412.48208

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3C(=O)C2=O)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3C(=O)C2=O)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O4S/c25-20-18-8-4-5-9-19(18)24(21(20)26)16-22-11-13-23(14-12-22)29(27,28)15-10-17-6-2-1-3-7-17/h1-10,15H,11-14,16H2/p+1/b15-10+