[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(4-pyrazol-1-ylphenyl)methanone

Systemtic Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(4-pyrazol-1-ylphenyl)methanone Openeye Name: [4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]-(4-pyrazol-1-ylphenyl)methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-[4-(1-pyrazolyl)phenyl]methanone IUPAC Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(4-pyrazol-1-ylphenyl)methanone Traditional Name: (4-pyrazol-1-ylphenyl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O3S/c1-18-4-10-21(11-5-18)30(28,29)25-14-3-13-24(16-17-25)22(27)19-6-8-20(9-7-19)26-15-2-12-23-26/h2,4-12,15H,3,13-14,16-17H2,1H3