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

Systemtic Name: methyl 1-ethylsulfonyl-5-[ethylsulfonyl(3-methylbutanoyl)amino]-2-methyl-indole-3-carboxylate Openeye Name: methyl 1-ethylsulfonyl-5-[ethylsulfonyl(3-methylbutanoyl)amino]-2-methyl-indole-3-carboxylate CAS Name: 1-ethylsulfonyl-5-[ethylsulfonyl-(3-methyl-1-oxobutyl)amino]-2-methyl-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-ethylsulfonyl-5-[ethylsulfonyl(3-methylbutanoyl)amino]-2-methylindole-3-carboxylate Traditional Name: 1-esyl-5-[esyl(isovaleryl)amino]-2-methyl-indole-3-carboxylic acid methyl ester Formula: C20H28N2O7S2 MolecularWeight: 472.57552

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1C(=C(C2=C1C=CC(=C2)N(C(=O)CC(C)C)S(=O)(=O)CC)C(=O)OC)C

Isomeric SMILES

CCS(=O)(=O)N1C(=C(C2=C1C=CC(=C2)N(C(=O)CC(C)C)S(=O)(=O)CC)C(=O)OC)C

InChI

InChI=1S/C20H28N2O7S2/c1-7-30(25,26)21-14(5)19(20(24)29-6)16-12-15(9-10-17(16)21)22(31(27,28)8-2)18(23)11-13(3)4/h9-10,12-13H,7-8,11H2,1-6H3