(phenylmethyl) 6-methoxy-2-methyl-1-methylsulfonyl-5-(methylsulfonylamino)indole-3-carboxylate

Systemtic Name: (phenylmethyl) 6-methoxy-2-methyl-1-methylsulfonyl-5-(methylsulfonylamino)indole-3-carboxylate Openeye Name: benzyl 5-(methanesulfonamido)-6-methoxy-2-methyl-1-methylsulfonyl-indole-3-carboxylate CAS Name: 5-(methanesulfonamido)-6-methoxy-2-methyl-1-methylsulfonyl-3-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(methanesulfonamido)-6-methoxy-2-methyl-1-methylsulfonylindole-3-carboxylate Traditional Name: 1-mesyl-5-(methanesulfonamido)-6-methoxy-2-methyl-indole-3-carboxylic acid benzyl ester Formula: C20H22N2O7S2 MolecularWeight: 466.52788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC(=C(C=C2N1S(=O)(=O)C)OC)NS(=O)(=O)C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=CC(=C(C=C2N1S(=O)(=O)C)OC)NS(=O)(=O)C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O7S2/c1-13-19(20(23)29-12-14-8-6-5-7-9-14)15-10-16(21-30(3,24)25)18(28-2)11-17(15)22(13)31(4,26)27/h5-11,21H,12H2,1-4H3