1-[(4-methoxycarbonylphenyl)methyl]-2,3,3-trimethyl-2H-indole-5-sulfonic acid

Systemtic Name: 1-[(4-methoxycarbonylphenyl)methyl]-2,3,3-trimethyl-2H-indole-5-sulfonic acid Openeye Name: 1-[(4-methoxycarbonylphenyl)methyl]-2,3,3-trimethyl-indoline-5-sulfonic acid CAS Name: 1-[(4-methoxycarbonylphenyl)methyl]-2,3,3-trimethyl-2H-indole-5-sulfonic acid IUPAC Name: 1-[(4-methoxycarbonylphenyl)methyl]-2,3,3-trimethyl-2H-indole-5-sulfonic acid Traditional Name: 1-(4-carbomethoxybenzyl)-2,3,3-trimethyl-indoline-5-sulfonic acid Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=C(N1CC3=CC=C(C=C3)C(=O)OC)C=CC(=C2)S(=O)(=O)O)(C)C

Isomeric SMILES

CC1C(C2=C(N1CC3=CC=C(C=C3)C(=O)OC)C=CC(=C2)S(=O)(=O)O)(C)C

InChI

InChI=1S/C20H23NO5S/c1-13-20(2,3)17-11-16(27(23,24)25)9-10-18(17)21(13)12-14-5-7-15(8-6-14)19(22)26-4/h5-11,13H,12H2,1-4H3,(H,23,24,25)