ethyl 1-(2-methylphenyl)-6-oxidanylidene-4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]pyridazine-3-carboxylate

Systemtic Name: ethyl 1-(2-methylphenyl)-6-oxidanylidene-4-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]pyridazine-3-carboxylate Openeye Name: ethyl 1-(o-tolyl)-6-oxo-4-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]pyridazine-3-carboxylate CAS Name: 1-(2-methylphenyl)-6-oxo-4-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]-3-pyridazinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-methylphenyl)-6-oxo-4-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]pyridazine-3-carboxylate Traditional Name: 6-keto-1-(o-tolyl)-4-[(4-pyrrolidinosulfonylbenzoyl)amino]pyridazine-3-carboxylic acid ethyl ester Formula: C25H26N4O6S MolecularWeight: 510.56214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C=C1NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C4=CC=CC=C4C

InChI

InChI=1S/C25H26N4O6S/c1-3-35-25(32)23-20(16-22(30)29(27-23)21-9-5-4-8-17(21)2)26-24(31)18-10-12-19(13-11-18)36(33,34)28-14-6-7-15-28/h4-5,8-13,16H,3,6-7,14-15H2,1-2H3,(H,26,31)