1-phenylethyl 2-methyl-5-(2-methylsulfonyloxyethyl)-1H-indole-3-carboxylate

Systemtic Name: 1-phenylethyl 2-methyl-5-(2-methylsulfonyloxyethyl)-1H-indole-3-carboxylate Openeye Name: 1-phenylethyl 2-methyl-5-(2-methylsulfonyloxyethyl)-1H-indole-3-carboxylate CAS Name: 2-methyl-5-(2-methylsulfonyloxyethyl)-1H-indole-3-carboxylic acid 1-phenylethyl ester IUPAC Name: 1-phenylethyl 2-methyl-5-(2-methylsulfonyloxyethyl)-1H-indole-3-carboxylate Traditional Name: 2-methyl-5-(2-methylsulfonyloxyethyl)-1H-indole-3-carboxylic acid 1-phenylethyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1)C=CC(=C2)CCOS(=O)(=O)C)C(=O)OC(C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=C(N1)C=CC(=C2)CCOS(=O)(=O)C)C(=O)OC(C)C3=CC=CC=C3

InChI

InChI=1S/C21H23NO5S/c1-14-20(21(23)27-15(2)17-7-5-4-6-8-17)18-13-16(9-10-19(18)22-14)11-12-26-28(3,24)25/h4-10,13,15,22H,11-12H2,1-3H3