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

Systemtic Name: 5-methyl-1-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 5-methyl-1-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]indoline-2,3-dione CAS Name: 5-methyl-1-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 5-methyl-1-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]indole-2,3-dione Traditional Name: 5-methyl-1-[(4-tosylpiperazin-1-ium-1-yl)methyl]isatin Formula: C21H24N3O4S+ MolecularWeight: 414.49796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C4=C(C=C(C=C4)C)C(=O)C3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CN3C4=C(C=C(C=C4)C)C(=O)C3=O

InChI

InChI=1S/C21H23N3O4S/c1-15-3-6-17(7-4-15)29(27,28)23-11-9-22(10-12-23)14-24-19-8-5-16(2)13-18(19)20(25)21(24)26/h3-8,13H,9-12,14H2,1-2H3/p+1