(phenylmethyl) 2-methyl-1-methylsulfonyl-5-(methylsulfonylamino)indole-3-carboxylate

Systemtic Name: (phenylmethyl) 2-methyl-1-methylsulfonyl-5-(methylsulfonylamino)indole-3-carboxylate Openeye Name: benzyl 5-(methanesulfonamido)-2-methyl-1-methylsulfonyl-indole-3-carboxylate CAS Name: 5-(methanesulfonamido)-2-methyl-1-methylsulfonyl-3-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(methanesulfonamido)-2-methyl-1-methylsulfonylindole-3-carboxylate Traditional Name: 1-mesyl-5-(methanesulfonamido)-2-methyl-indole-3-carboxylic acid benzyl ester Formula: C19H20N2O6S2 MolecularWeight: 436.5019

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1S(=O)(=O)C)C=CC(=C2)NS(=O)(=O)C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=C(N1S(=O)(=O)C)C=CC(=C2)NS(=O)(=O)C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C19H20N2O6S2/c1-13-18(19(22)27-12-14-7-5-4-6-8-14)16-11-15(20-28(2,23)24)9-10-17(16)21(13)29(3,25)26/h4-11,20H,12H2,1-3H3