1-(4-methylphenyl)sulfonyl-4-[(4-pyrazol-1-ylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-[(4-pyrazol-1-ylphenyl)methyl]-1,4-diazepane Openeye Name: 1-(p-tolylsulfonyl)-4-[(4-pyrazol-1-ylphenyl)methyl]-1,4-diazepane CAS Name: 1-(4-methylphenyl)sulfonyl-4-[[4-(1-pyrazolyl)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-[(4-pyrazol-1-ylphenyl)methyl]-1,4-diazepane Traditional Name: 1-(4-pyrazol-1-ylbenzyl)-4-tosyl-1,4-diazepane Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C22H26N4O2S/c1-19-4-10-22(11-5-19)29(27,28)25-14-3-13-24(16-17-25)18-20-6-8-21(9-7-20)26-15-2-12-23-26/h2,4-12,15H,3,13-14,16-18H2,1H3