[2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 4-(methylsulfonylmethyl)benzoate

Systemtic Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 4-(methylsulfonylmethyl)benzoate Openeye Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxo-ethyl] 4-(methylsulfonylmethyl)benzoate CAS Name: 4-(methylsulfonylmethyl)benzoic acid [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-(methylsulfonylmethyl)benzoate Traditional Name: 4-(mesylmethyl)benzoic acid [2-(7-ethyl-1H-indol-3-yl)-2-keto-ethyl] ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3=CC=C(C=C3)CS(=O)(=O)C

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)COC(=O)C3=CC=C(C=C3)CS(=O)(=O)C

InChI

InChI=1S/C21H21NO5S/c1-3-15-5-4-6-17-18(11-22-20(15)17)19(23)12-27-21(24)16-9-7-14(8-10-16)13-28(2,25)26/h4-11,22H,3,12-13H2,1-2H3