methyl 3,5-dimethyl-1-[2-(phenylsulfonyl)ethyl]indole-2-carboxylate

Systemtic Name: methyl 3,5-dimethyl-1-[2-(phenylsulfonyl)ethyl]indole-2-carboxylate Openeye Name: methyl 1-[2-(benzenesulfonyl)ethyl]-3,5-dimethyl-indole-2-carboxylate CAS Name: 1-[2-(benzenesulfonyl)ethyl]-3,5-dimethyl-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(benzenesulfonyl)ethyl]-3,5-dimethylindole-2-carboxylate Traditional Name: 1-(2-besylethyl)-3,5-dimethyl-indole-2-carboxylic acid methyl ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2C)C(=O)OC)CCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2C)C(=O)OC)CCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H21NO4S/c1-14-9-10-18-17(13-14)15(2)19(20(22)25-3)21(18)11-12-26(23,24)16-7-5-4-6-8-16/h4-10,13H,11-12H2,1-3H3