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

Systemtic Name: methyl 2-methyl-5-[(4-methylphenyl)carbonyl-methylsulfonyl-amino]-1-methylsulfonyl-indole-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H22N2O7S2 MolecularWeight: 478.53858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(C2=CC3=C(C=C2)N(C(=C3C(=O)OC)C)S(=O)(=O)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(C2=CC3=C(C=C2)N(C(=C3C(=O)OC)C)S(=O)(=O)C)S(=O)(=O)C

InChI

InChI=1S/C21H22N2O7S2/c1-13-6-8-15(9-7-13)20(24)23(32(5,28)29)16-10-11-18-17(12-16)19(21(25)30-3)14(2)22(18)31(4,26)27/h6-12H,1-5H3