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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-chlorophenyl)-4-oxidanylidene-pyridazine-3-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-chlorophenyl)-4-oxo-pyridazine-3-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1-(3-chlorophenyl)-4-oxo-3-pyridazinecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-chlorophenyl)-4-oxopyridazine-3-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-chlorophenyl)-4-keto-pyridazine-3-carboxamide Formula: C23H23ClN4O4S MolecularWeight: 486.97112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NN(C=CC3=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=NN(C=CC3=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H23ClN4O4S/c24-17-6-5-7-19(16-17)28-15-12-21(29)22(26-28)23(30)25-18-8-10-20(11-9-18)33(31,32)27-13-3-1-2-4-14-27/h5-12,15-16H,1-4,13-14H2,(H,25,30)