methyl 3-methyl-1-[(4-methylsulfonylphenyl)methyl]indole-6-carboxylate

Systemtic Name: methyl 3-methyl-1-[(4-methylsulfonylphenyl)methyl]indole-6-carboxylate Openeye Name: methyl 3-methyl-1-[(4-methylsulfonylphenyl)methyl]indole-6-carboxylate CAS Name: 3-methyl-1-[(4-methylsulfonylphenyl)methyl]-6-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-methyl-1-[(4-methylsulfonylphenyl)methyl]indole-6-carboxylate Traditional Name: 1-(4-mesylbenzyl)-3-methyl-indole-6-carboxylic acid methyl ester Formula: C19H19NO4S MolecularWeight: 357.42346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=C1C=CC(=C2)C(=O)OC)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=CN(C2=C1C=CC(=C2)C(=O)OC)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C19H19NO4S/c1-13-11-20(12-14-4-7-16(8-5-14)25(3,22)23)18-10-15(19(21)24-2)6-9-17(13)18/h4-11H,12H2,1-3H3