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

Systemtic Name: 6-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-1,2-dimethyl-4-(phenylsulfonyl)indol-5-olate Openeye Name: 4-(benzenesulfonyl)-6-[(dimethylammonio)methyl]-3-ethoxycarbonyl-1,2-dimethyl-indol-5-olate CAS Name: 4-(benzenesulfonyl)-6-[(dimethylammonio)methyl]-3-ethoxycarbonyl-1,2-dimethyl-5-indololate IUPAC Name: 4-(benzenesulfonyl)-6-[(dimethylazaniumyl)methyl]-3-ethoxycarbonyl-1,2-dimethylindol-5-olate Traditional Name: 4-besyl-3-carbethoxy-6-[(dimethylammonio)methyl]-1,2-dimethyl-indol-5-olate Formula: C22H26N2O5S MolecularWeight: 430.51724

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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=CC=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-6-29-22(26)18-14(2)24(5)17-12-15(13-23(3)4)20(25)21(19(17)18)30(27,28)16-10-8-7-9-11-16/h7-12,25H,6,13H2,1-5H3