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

Systemtic Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]propan-1-one CAS Name: 3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-1-(4-tosyl-1,4-diazepan-1-yl)propan-1-one Formula: C26H32N4O3S MolecularWeight: 480.62228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCC3=C(N(N=C3C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CCC3=C(N(N=C3C)C4=CC=CC=C4)C

InChI

InChI=1S/C26H32N4O3S/c1-20-10-12-24(13-11-20)34(32,33)29-17-7-16-28(18-19-29)26(31)15-14-25-21(2)27-30(22(25)3)23-8-5-4-6-9-23/h4-6,8-13H,7,14-19H2,1-3H3