[2-(2-ethyl-1-methyl-indol-4-yl)-2-oxidanyl-ethyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(2-ethyl-1-methyl-indol-4-yl)-2-oxidanyl-ethyl] 4-methylbenzenesulfonate Openeye Name: [2-(2-ethyl-1-methyl-indol-4-yl)-2-hydroxy-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(2-ethyl-1-methyl-4-indolyl)-2-hydroxyethyl] ester IUPAC Name: [2-(2-ethyl-1-methylindol-4-yl)-2-hydroxyethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(2-ethyl-1-methyl-indol-4-yl)-2-hydroxy-ethyl] ester Formula: C20H23NO4S MolecularWeight: 373.46592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=CC=C2N1C)C(COS(=O)(=O)C3=CC=C(C=C3)C)O

Isomeric SMILES

CCC1=CC2=C(C=CC=C2N1C)C(COS(=O)(=O)C3=CC=C(C=C3)C)O

InChI

InChI=1S/C20H23NO4S/c1-4-15-12-18-17(6-5-7-19(18)21(15)3)20(22)13-25-26(23,24)16-10-8-14(2)9-11-16/h5-12,20,22H,4,13H2,1-3H3