[2-methyl-1-(4-methylphenyl)sulfonyl-4-(2-oxidanylidenepropyl)indol-5-yl] ethanoate

Systemtic Name: [2-methyl-1-(4-methylphenyl)sulfonyl-4-(2-oxidanylidenepropyl)indol-5-yl] ethanoate Openeye Name: [4-acetonyl-2-methyl-1-(p-tolylsulfonyl)indol-5-yl] acetate CAS Name: acetic acid [2-methyl-1-(4-methylphenyl)sulfonyl-4-(2-oxopropyl)-5-indolyl] ester IUPAC Name: [2-methyl-1-(4-methylphenyl)sulfonyl-4-(2-oxopropyl)indol-5-yl] acetate Traditional Name: acetic acid (4-acetonyl-2-methyl-1-tosyl-indol-5-yl) ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C2C=CC(=C3CC(=O)C)OC(=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C2C=CC(=C3CC(=O)C)OC(=O)C)C

InChI

InChI=1S/C21H21NO5S/c1-13-5-7-17(8-6-13)28(25,26)22-14(2)11-18-19(12-15(3)23)21(27-16(4)24)10-9-20(18)22/h5-11H,12H2,1-4H3