ethyl 2-methyl-5-[(4-methylphenyl)carbonyl-methylsulfonyl-amino]-1-methylsulfonyl-indole-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-[(4-methylphenyl)carbonyl-methylsulfonyl-amino]-1-methylsulfonyl-indole-3-carboxylate Openeye Name: ethyl 2-methyl-5-[(4-methylbenzoyl)-methylsulfonyl-amino]-1-methylsulfonyl-indole-3-carboxylate CAS Name: 2-methyl-5-[[(4-methylphenyl)-oxomethyl]-methylsulfonylamino]-1-methylsulfonyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-[(4-methylbenzoyl)-methylsulfonylamino]-1-methylsulfonylindole-3-carboxylate Traditional Name: 1-mesyl-5-[mesyl(p-toluoyl)amino]-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C22H24N2O7S2 MolecularWeight: 492.56516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)N(C(=O)C3=CC=C(C=C3)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)C3=CC=C(C=C3)C)S(=O)(=O)C)S(=O)(=O)C)C

InChI

InChI=1S/C22H24N2O7S2/c1-6-31-22(26)20-15(3)23(32(4,27)28)19-12-11-17(13-18(19)20)24(33(5,29)30)21(25)16-9-7-14(2)8-10-16/h7-13H,6H2,1-5H3