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

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: (3,5-dimethyl-1-phenyl-4-pyrazolyl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: (3,5-dimethyl-1-phenylpyrazol-4-yl)-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)-(4-tosyl-1,4-diazepan-1-yl)methanone Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=C(N(N=C3C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)C3=C(N(N=C3C)C4=CC=CC=C4)C

InChI

InChI=1S/C24H28N4O3S/c1-18-10-12-22(13-11-18)32(30,31)27-15-7-14-26(16-17-27)24(29)23-19(2)25-28(20(23)3)21-8-5-4-6-9-21/h4-6,8-13H,7,14-17H2,1-3H3