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

Systemtic Name: octyl 2-methyl-1-methylsulfonyl-5-(methylsulfonylamino)indole-3-carboxylate Openeye Name: octyl 5-(methanesulfonamido)-2-methyl-1-methylsulfonyl-indole-3-carboxylate CAS Name: 5-(methanesulfonamido)-2-methyl-1-methylsulfonyl-3-indolecarboxylic acid octyl ester IUPAC Name: octyl 5-(methanesulfonamido)-2-methyl-1-methylsulfonylindole-3-carboxylate Traditional Name: 1-mesyl-5-(methanesulfonamido)-2-methyl-indole-3-carboxylic acid octyl ester Formula: C20H30N2O6S2 MolecularWeight: 458.592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=C(N(C2=C1C=C(C=C2)NS(=O)(=O)C)S(=O)(=O)C)C

Isomeric SMILES

CCCCCCCCOC(=O)C1=C(N(C2=C1C=C(C=C2)NS(=O)(=O)C)S(=O)(=O)C)C

InChI

InChI=1S/C20H30N2O6S2/c1-5-6-7-8-9-10-13-28-20(23)19-15(2)22(30(4,26)27)18-12-11-16(14-17(18)19)21-29(3,24)25/h11-12,14,21H,5-10,13H2,1-4H3