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

Systemtic Name: 2-[3-(4-methoxyphenyl)carbonyl-2-methyl-indol-1-yl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[3-(4-methoxybenzoyl)-2-methyl-indol-1-yl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[3-[(4-methoxyphenyl)-oxomethyl]-2-methyl-1-indolyl]ethyl ester IUPAC Name: 2-[3-(4-methoxybenzoyl)-2-methylindol-1-yl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(2-methyl-3-p-anisoyl-indol-1-yl)ethyl ester Formula: C26H25NO5S MolecularWeight: 463.5454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C(=C(C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCN2C(=C(C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C26H25NO5S/c1-18-8-14-22(15-9-18)33(29,30)32-17-16-27-19(2)25(23-6-4-5-7-24(23)27)26(28)20-10-12-21(31-3)13-11-20/h4-15H,16-17H2,1-3H3