6-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-1,2-dimethyl-4-(4-methylphenyl)sulfonyl-indol-5-olate

Systemtic Name: 6-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-1,2-dimethyl-4-(4-methylphenyl)sulfonyl-indol-5-olate Openeye Name: 6-[(dimethylammonio)methyl]-3-ethoxycarbonyl-1,2-dimethyl-4-(p-tolylsulfonyl)indol-5-olate CAS Name: 6-[(dimethylammonio)methyl]-3-ethoxycarbonyl-1,2-dimethyl-4-(4-methylphenyl)sulfonyl-5-indololate IUPAC Name: 6-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-1,2-dimethyl-4-(4-methylphenyl)sulfonylindol-5-olate Traditional Name: 3-carbethoxy-6-[(dimethylammonio)methyl]-1,2-dimethyl-4-tosyl-indol-5-olate Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C(=C(C(=C2)C[NH+](C)C)[O-])S(=O)(=O)C3=CC=C(C=C3)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C(=C(C(=C2)C[NH+](C)C)[O-])S(=O)(=O)C3=CC=C(C=C3)C)C)C

InChI

InChI=1S/C23H28N2O5S/c1-7-30-23(27)19-15(3)25(6)18-12-16(13-24(4)5)21(26)22(20(18)19)31(28,29)17-10-8-14(2)9-11-17/h8-12,26H,7,13H2,1-6H3