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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-chlorophenyl)-4-oxidanylidene-pyridazine-3-carboxamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-chlorophenyl)-4-oxo-pyridazine-3-carboxamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-1-(4-chlorophenyl)-4-oxo-3-pyridazinecarboxamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-chlorophenyl)-4-oxopyridazine-3-carboxamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-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=C(C=C4)Cl

Isomeric SMILES

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

InChI

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