methyl 5-(4-methylphenyl)sulfonyl-4-[(phenylmethyl)carbamoyl]pyridazino[4,5-b]indole-1-carboxylate

Systemtic Name: methyl 5-(4-methylphenyl)sulfonyl-4-[(phenylmethyl)carbamoyl]pyridazino[4,5-b]indole-1-carboxylate Openeye Name: methyl 4-(benzylcarbamoyl)-5-(p-tolylsulfonyl)pyridazino[4,5-b]indole-1-carboxylate CAS Name: 5-(4-methylphenyl)sulfonyl-4-[oxo-[(phenylmethyl)amino]methyl]-1-pyridazino[4,5-b]indolecarboxylic acid methyl ester IUPAC Name: methyl 4-(benzylcarbamoyl)-5-(4-methylphenyl)sulfonylpyridazino[4,5-b]indole-1-carboxylate Traditional Name: 4-(benzylcarbamoyl)-5-tosyl-pyridazin[4,5-b]indole-1-carboxylic acid methyl ester Formula: C27H22N4O5S MolecularWeight: 514.55238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C4=C2C(=NN=C4C(=O)OC)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C4=C2C(=NN=C4C(=O)OC)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C27H22N4O5S/c1-17-12-14-19(15-13-17)37(34,35)31-21-11-7-6-10-20(21)22-23(27(33)36-2)29-30-24(25(22)31)26(32)28-16-18-8-4-3-5-9-18/h3-15H,16H2,1-2H3,(H,28,32)