2-[3-(4-ethylphenyl)carbonyl-2-methyl-indol-1-yl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[3-(4-ethylphenyl)carbonyl-2-methyl-indol-1-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[3-(4-ethylbenzoyl)-2-methyl-indol-1-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[3-[(4-ethylphenyl)-oxomethyl]-2-methyl-1-indolyl]ethyl ester IUPAC Name: 2-[3-(4-ethylbenzoyl)-2-methylindol-1-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[3-(4-ethylbenzoyl)-2-methyl-indol-1-yl]ethyl ester Formula: C27H27NO4S MolecularWeight: 461.57258

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C2=C(N(C3=CC=CC=C32)CCOS(=O)(=O)C4=CC=C(C=C4)C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C2=C(N(C3=CC=CC=C32)CCOS(=O)(=O)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C27H27NO4S/c1-4-21-11-13-22(14-12-21)27(29)26-20(3)28(25-8-6-5-7-24(25)26)17-18-32-33(30,31)23-15-9-19(2)10-16-23/h5-16H,4,17-18H2,1-3H3