1-[(4-methylsulfonylphenyl)methyl]-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(4-methylsulfonylphenyl)methyl]-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepane Openeye Name: 1-[(4-methylsulfonylphenyl)methyl]-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepane CAS Name: 1-[(4-methylsulfonylphenyl)methyl]-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepane IUPAC Name: 1-[(4-methylsulfonylphenyl)methyl]-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepane Traditional Name: 1-(4-mesylbenzyl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4-diazepane Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)CC3=C(NN=C3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)CC3=C(NN=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H28N4O2S/c1-30(28,29)22-10-8-19(9-11-22)17-26-12-5-13-27(15-14-26)18-21-16-24-25-23(21)20-6-3-2-4-7-20/h2-4,6-11,16H,5,12-15,17-18H2,1H3,(H,24,25)