[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone

Systemtic Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone Openeye Name: (3-phenyl-1H-pyrazol-5-yl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone IUPAC Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone Traditional Name: (3-phenyl-1H-pyrazol-5-yl)-(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(=NN3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=CC(=NN3)C4=CC=CC=C4

InChI

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