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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-ethoxyphenyl)-4-oxidanylidene-pyridazine-3-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-ethoxyphenyl)-4-oxo-pyridazine-3-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1-(4-ethoxyphenyl)-4-oxo-3-pyridazinecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-ethoxyphenyl)-4-oxopyridazine-3-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-4-keto-1-p-phenetyl-pyridazine-3-carboxamide Formula: C25H28N4O5S MolecularWeight: 496.57862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C=CC(=O)C(=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=CC(=O)C(=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C25H28N4O5S/c1-2-34-21-11-9-20(10-12-21)29-18-15-23(30)24(27-29)25(31)26-19-7-13-22(14-8-19)35(32,33)28-16-5-3-4-6-17-28/h7-15,18H,2-6,16-17H2,1H3,(H,26,31)