N-[4-[[4-(6-oxidanylidene-1-phenyl-pyridazin-3-yl)-1,4-diazepan-1-yl]sulfonyl]phenyl]propanamide

Systemtic Name: N-[4-[[4-(6-oxidanylidene-1-phenyl-pyridazin-3-yl)-1,4-diazepan-1-yl]sulfonyl]phenyl]propanamide Openeye Name: N-[4-[[4-(6-oxo-1-phenyl-pyridazin-3-yl)-1,4-diazepan-1-yl]sulfonyl]phenyl]propanamide CAS Name: N-[4-[[4-(6-oxo-1-phenyl-3-pyridazinyl)-1,4-diazepan-1-yl]sulfonyl]phenyl]propanamide IUPAC Name: N-[4-[[4-(6-oxo-1-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]sulfonyl]phenyl]propanamide Traditional Name: N-[4-[[4-(6-keto-1-phenyl-pyridazin-3-yl)-1,4-diazepan-1-yl]sulfonyl]phenyl]propionamide Formula: C24H27N5O4S MolecularWeight: 481.56728

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=CC=C4

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=NN(C(=O)C=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H27N5O4S/c1-2-23(30)25-19-9-11-21(12-10-19)34(32,33)28-16-6-15-27(17-18-28)22-13-14-24(31)29(26-22)20-7-4-3-5-8-20/h3-5,7-14H,2,6,15-18H2,1H3,(H,25,30)