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

Systemtic Name: [(4-methylphenyl)sulfonyl-phenyl-amino]methyl 3-(pyridin-4-ylamino)-1H-indole-2-carboxylate Openeye Name: [N-(p-tolylsulfonyl)anilino]methyl 3-(4-pyridylamino)-1H-indole-2-carboxylate CAS Name: 3-(pyridin-4-ylamino)-1H-indole-2-carboxylic acid (N-(4-methylphenyl)sulfonylanilino)methyl ester IUPAC Name: (N-(4-methylphenyl)sulfonylanilino)methyl 3-(pyridin-4-ylamino)-1H-indole-2-carboxylate Traditional Name: 3-(4-pyridylamino)-1H-indole-2-carboxylic acid (N-tosylanilino)methyl ester Formula: C28H24N4O4S MolecularWeight: 512.57956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(COC(=O)C2=C(C3=CC=CC=C3N2)NC4=CC=NC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(COC(=O)C2=C(C3=CC=CC=C3N2)NC4=CC=NC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H24N4O4S/c1-20-11-13-23(14-12-20)37(34,35)32(22-7-3-2-4-8-22)19-36-28(33)27-26(30-21-15-17-29-18-16-21)24-9-5-6-10-25(24)31-27/h2-18,31H,19H2,1H3,(H,29,30)