N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-methylphenyl)-4-oxidanylidene-pyridazine-3-carboxamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-methylphenyl)-4-oxidanylidene-pyridazine-3-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(m-tolyl)-4-oxo-pyridazine-3-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1-(3-methylphenyl)-4-oxo-3-pyridazinecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-methylphenyl)-4-oxopyridazine-3-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-keto-1-(m-tolyl)pyridazine-3-carboxamide Formula: C24H26N4O4S MolecularWeight: 466.55264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=CC(=O)C(=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)N2C=CC(=O)C(=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C24H26N4O4S/c1-18-7-6-8-20(17-18)28-16-13-22(29)23(26-28)24(30)25-19-9-11-21(12-10-19)33(31,32)27-14-4-2-3-5-15-27/h6-13,16-17H,2-5,14-15H2,1H3,(H,25,30)