(phenylmethyl) 2,6-dimethyl-1-methylsulfonyl-5-(methylsulfonylamino)indole-3-carboxylate

Systemtic Name: (phenylmethyl) 2,6-dimethyl-1-methylsulfonyl-5-(methylsulfonylamino)indole-3-carboxylate Openeye Name: benzyl 5-(methanesulfonamido)-2,6-dimethyl-1-methylsulfonyl-indole-3-carboxylate CAS Name: 5-(methanesulfonamido)-2,6-dimethyl-1-methylsulfonyl-3-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-(methanesulfonamido)-2,6-dimethyl-1-methylsulfonylindole-3-carboxylate Traditional Name: 1-mesyl-5-(methanesulfonamido)-2,6-dimethyl-indole-3-carboxylic acid benzyl ester Formula: C20H22N2O6S2 MolecularWeight: 450.52848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)N(C(=C2C(=O)OCC3=CC=CC=C3)C)S(=O)(=O)C)NS(=O)(=O)C

Isomeric SMILES

CC1=C(C=C2C(=C1)N(C(=C2C(=O)OCC3=CC=CC=C3)C)S(=O)(=O)C)NS(=O)(=O)C

InChI

InChI=1S/C20H22N2O6S2/c1-13-10-18-16(11-17(13)21-29(3,24)25)19(14(2)22(18)30(4,26)27)20(23)28-12-15-8-6-5-7-9-15/h5-11,21H,12H2,1-4H3