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

Systemtic Name: [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O4S/c1-17-4-10-20(11-5-17)32(29,30)27-13-3-12-26(14-15-27)23(28)21-16-24-25-22(21)18-6-8-19(31-2)9-7-18/h4-11,16H,3,12-15H2,1-2H3,(H,24,25)