ethyl 2-methyl-5-[2-methylpropanoyl(methylsulfonyl)amino]-1-methylsulfonyl-indole-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-[2-methylpropanoyl(methylsulfonyl)amino]-1-methylsulfonyl-indole-3-carboxylate Openeye Name: ethyl 2-methyl-5-[2-methylpropanoyl(methylsulfonyl)amino]-1-methylsulfonyl-indole-3-carboxylate CAS Name: 2-methyl-5-[(2-methyl-1-oxopropyl)-methylsulfonylamino]-1-methylsulfonyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-[2-methylpropanoyl(methylsulfonyl)amino]-1-methylsulfonylindole-3-carboxylate Traditional Name: 5-[isobutyryl(mesyl)amino]-1-mesyl-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C18H24N2O7S2 MolecularWeight: 444.52236

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)N(C(=O)C(C)C)S(=O)(=O)C)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)N(C(=O)C(C)C)S(=O)(=O)C)S(=O)(=O)C)C

InChI

InChI=1S/C18H24N2O7S2/c1-7-27-18(22)16-12(4)19(28(5,23)24)15-9-8-13(10-14(15)16)20(29(6,25)26)17(21)11(2)3/h8-11H,7H2,1-6H3