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

Systemtic Name: methyl 2-methyl-5-[2-methylpropanoyl(methylsulfonyl)amino]-1-methylsulfonyl-indole-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H22N2O7S2 MolecularWeight: 430.49578

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C17H22N2O7S2/c1-10(2)16(20)19(28(6,24)25)12-7-8-14-13(9-12)15(17(21)26-4)11(3)18(14)27(5,22)23/h7-10H,1-6H3