[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone

Systemtic Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone Openeye Name: [4-(5-methylpyrazol-1-yl)phenyl]-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-[4-(5-methyl-1-pyrazolyl)phenyl]methanone IUPAC Name: [4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone Traditional Name: [4-(5-methylpyrazol-1-yl)phenyl]-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C23H26N4O3S MolecularWeight: 438.54254

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O3S/c1-18-4-10-22(11-5-18)31(29,30)26-15-3-14-25(16-17-26)23(28)20-6-8-21(9-7-20)27-19(2)12-13-24-27/h4-13H,3,14-17H2,1-2H3