1-[6-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane

Systemtic Name: 1-[6-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane Openeye Name: 1-[6-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane CAS Name: 1-[6-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-3-pyridazinyl]azepane IUPAC Name: 1-[6-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-yl]azepane Traditional Name: 1-[6-[4-(3,4-dimethylphenyl)sulfonylpiperazino]pyridazin-3-yl]azepane Formula: C22H31N5O2S MolecularWeight: 429.57884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NN=C(C=C3)N4CCCCCC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NN=C(C=C3)N4CCCCCC4)C

InChI

InChI=1S/C22H31N5O2S/c1-18-7-8-20(17-19(18)2)30(28,29)27-15-13-26(14-16-27)22-10-9-21(23-24-22)25-11-5-3-4-6-12-25/h7-10,17H,3-6,11-16H2,1-2H3