3-(phenylmethyl)sulfonyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazine

Systemtic Name: 3-(phenylmethyl)sulfonyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazine Openeye Name: 3-benzylsulfonyl-6-[4-[3-(1-piperidyl)propoxy]phenyl]pyridazine CAS Name: 3-(phenylmethyl)sulfonyl-6-[4-[3-(1-piperidinyl)propoxy]phenyl]pyridazine IUPAC Name: 3-benzylsulfonyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazine Traditional Name: 3-benzylsulfonyl-6-[4-(3-piperidinopropoxy)phenyl]pyridazine Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCOC2=CC=C(C=C2)C3=NN=C(C=C3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)CCCOC2=CC=C(C=C2)C3=NN=C(C=C3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O3S/c29-32(30,20-21-8-3-1-4-9-21)25-15-14-24(26-27-25)22-10-12-23(13-11-22)31-19-7-18-28-16-5-2-6-17-28/h1,3-4,8-15H,2,5-7,16-20H2