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

Systemtic Name: [5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Openeye Name: [5-methyl-1-(m-tolyl)pyrazol-4-yl]-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methanone CAS Name: [5-methyl-1-(3-methylphenyl)-4-pyrazolyl]-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone IUPAC Name: [5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone Traditional Name: [5-methyl-1-(m-tolyl)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=C3)C4=CC=CC(=C4)C)C

Isomeric SMILES

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

InChI

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