methyl 5-methoxy-3-methyl-1-[2-(phenylmethyl)sulfonylethyl]indole-2-carboxylate

Systemtic Name: methyl 5-methoxy-3-methyl-1-[2-(phenylmethyl)sulfonylethyl]indole-2-carboxylate Openeye Name: methyl 1-(2-benzylsulfonylethyl)-5-methoxy-3-methyl-indole-2-carboxylate CAS Name: 5-methoxy-3-methyl-1-[2-(phenylmethyl)sulfonylethyl]-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-benzylsulfonylethyl)-5-methoxy-3-methylindole-2-carboxylate Traditional Name: 1-(2-benzylsulfonylethyl)-5-methoxy-3-methyl-indole-2-carboxylic acid methyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)OC)CCS(=O)(=O)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)OC)CCS(=O)(=O)CC3=CC=CC=C3)C(=O)OC

InChI

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