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

Systemtic Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(1-phenylpyrazol-4-yl)methanone Openeye Name: (1-phenylpyrazol-4-yl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(1-phenyl-4-pyrazolyl)methanone IUPAC Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(1-phenylpyrazol-4-yl)methanone Traditional Name: (1-phenylpyrazol-4-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=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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