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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NN=C(C=C3)N4CCCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NN=C(C=C3)N4CCCCCC4

InChI

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