methyl 3,7-dimethyl-1-[2-(phenylmethyl)sulfonylethyl]indole-2-carboxylate

Systemtic Name: methyl 3,7-dimethyl-1-[2-(phenylmethyl)sulfonylethyl]indole-2-carboxylate Openeye Name: methyl 1-(2-benzylsulfonylethyl)-3,7-dimethyl-indole-2-carboxylate CAS Name: 3,7-dimethyl-1-[2-(phenylmethyl)sulfonylethyl]-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-benzylsulfonylethyl)-3,7-dimethylindole-2-carboxylate Traditional Name: 1-(2-benzylsulfonylethyl)-3,7-dimethyl-indole-2-carboxylic acid methyl ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C(=C2C)C(=O)OC)CCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC2=C1N(C(=C2C)C(=O)OC)CCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H23NO4S/c1-15-8-7-11-18-16(2)20(21(23)26-3)22(19(15)18)12-13-27(24,25)14-17-9-5-4-6-10-17/h4-11H,12-14H2,1-3H3