1-(3-ethanoylsulfanylpropyl)-2,3,3-trimethyl-2H-indole-5-sulfonic acid

Systemtic Name: 1-(3-ethanoylsulfanylpropyl)-2,3,3-trimethyl-2H-indole-5-sulfonic acid Openeye Name: 1-(3-acetylsulfanylpropyl)-2,3,3-trimethyl-indoline-5-sulfonic acid CAS Name: 1-[3-(acetylthio)propyl]-2,3,3-trimethyl-2H-indole-5-sulfonic acid IUPAC Name: 1-(3-acetylsulfanylpropyl)-2,3,3-trimethyl-2H-indole-5-sulfonic acid Traditional Name: 1-[3-(acetylthio)propyl]-2,3,3-trimethyl-indoline-5-sulfonic acid Formula: C16H23NO4S2 MolecularWeight: 357.48812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=C(N1CCCSC(=O)C)C=CC(=C2)S(=O)(=O)O)(C)C

Isomeric SMILES

CC1C(C2=C(N1CCCSC(=O)C)C=CC(=C2)S(=O)(=O)O)(C)C

InChI

InChI=1S/C16H23NO4S2/c1-11-16(3,4)14-10-13(23(19,20)21)6-7-15(14)17(11)8-5-9-22-12(2)18/h6-7,10-11H,5,8-9H2,1-4H3,(H,19,20,21)