4-butoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide

Systemtic Name: 4-butoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide Openeye Name: 4-butoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide CAS Name: 4-butoxy-N-[3-[6-(4-methyl-1-piperazinyl)-3-pyridazinyl]phenyl]benzenesulfonamide IUPAC Name: 4-butoxy-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide Traditional Name: 4-butoxy-N-[3-[6-(4-methylpiperazino)pyridazin-3-yl]phenyl]benzenesulfonamide Formula: C25H31N5O3S MolecularWeight: 481.61034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCN(CC4)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCN(CC4)C

InChI

InChI=1S/C25H31N5O3S/c1-3-4-18-33-22-8-10-23(11-9-22)34(31,32)28-21-7-5-6-20(19-21)24-12-13-25(27-26-24)30-16-14-29(2)15-17-30/h5-13,19,28H,3-4,14-18H2,1-2H3