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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1S(=O)(=O)C)C=CC(=C2)N(C(=O)CC(C)C)S(=O)(=O)C)C(=O)OC

Isomeric SMILES

CC1=C(C2=C(N1S(=O)(=O)C)C=CC(=C2)N(C(=O)CC(C)C)S(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C18H24N2O7S2/c1-11(2)9-16(21)20(29(6,25)26)13-7-8-15-14(10-13)17(18(22)27-4)12(3)19(15)28(5,23)24/h7-8,10-11H,9H2,1-6H3