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

Systemtic Name: ethyl 1-ethylsulfonyl-5-[ethylsulfonyl(3-methylbutanoyl)amino]-2-methyl-indole-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H30N2O7S2 MolecularWeight: 486.6021

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O7S2/c1-7-30-21(25)20-15(6)22(31(26,27)8-2)18-11-10-16(13-17(18)20)23(32(28,29)9-3)19(24)12-14(4)5/h10-11,13-14H,7-9,12H2,1-6H3