1-(2-acetyloxybutyl)-2-phenyl-3H-indole-2-sulfonic acid

Systemtic Name: 1-(2-acetyloxybutyl)-2-phenyl-3H-indole-2-sulfonic acid Openeye Name: 1-(2-acetoxybutyl)-2-phenyl-indoline-2-sulfonic acid CAS Name: 1-(2-acetyloxybutyl)-2-phenyl-3H-indole-2-sulfonic acid IUPAC Name: 1-(2-acetyloxybutyl)-2-phenyl-3H-indole-2-sulfonic acid Traditional Name: 1-(2-acetoxybutyl)-2-phenyl-indoline-2-sulfonic acid Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C2=CC=CC=C2CC1(C3=CC=CC=C3)S(=O)(=O)O)OC(=O)C

Isomeric SMILES

CCC(CN1C2=CC=CC=C2CC1(C3=CC=CC=C3)S(=O)(=O)O)OC(=O)C

InChI

InChI=1S/C20H23NO5S/c1-3-18(26-15(2)22)14-21-19-12-8-7-9-16(19)13-20(21,27(23,24)25)17-10-5-4-6-11-17/h4-12,18H,3,13-14H2,1-2H3,(H,23,24,25)