[methyl-(4-methylphenyl)sulfonyl-amino]methyl 3-(pyridin-4-ylamino)-1H-indole-2-carboxylate

Systemtic Name: [methyl-(4-methylphenyl)sulfonyl-amino]methyl 3-(pyridin-4-ylamino)-1H-indole-2-carboxylate Openeye Name: [methyl(p-tolylsulfonyl)amino]methyl 3-(4-pyridylamino)-1H-indole-2-carboxylate CAS Name: 3-(pyridin-4-ylamino)-1H-indole-2-carboxylic acid [methyl-(4-methylphenyl)sulfonylamino]methyl ester IUPAC Name: [methyl-(4-methylphenyl)sulfonylamino]methyl 3-(pyridin-4-ylamino)-1H-indole-2-carboxylate Traditional Name: 3-(4-pyridylamino)-1H-indole-2-carboxylic acid [methyl(tosyl)amino]methyl ester Formula: C23H22N4O4S MolecularWeight: 450.51018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)COC(=O)C2=C(C3=CC=CC=C3N2)NC4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)COC(=O)C2=C(C3=CC=CC=C3N2)NC4=CC=NC=C4

InChI

InChI=1S/C23H22N4O4S/c1-16-7-9-18(10-8-16)32(29,30)27(2)15-31-23(28)22-21(25-17-11-13-24-14-12-17)19-5-3-4-6-20(19)26-22/h3-14,26H,15H2,1-2H3,(H,24,25)