N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-(5-methyl-2-phenyl-3-pyrazolyl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(5-methyl-2-phenylpyrazol-3-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]acetamide Traditional Name: N-(5-methyl-2-phenyl-pyrazol-3-yl)-2-(4-tosyl-1,4-diazepan-1-yl)acetamide Formula: C24H29N5O3S MolecularWeight: 467.58376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NC3=CC(=NN3C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC(=O)NC3=CC(=NN3C4=CC=CC=C4)C

InChI

InChI=1S/C24H29N5O3S/c1-19-9-11-22(12-10-19)33(31,32)28-14-6-13-27(15-16-28)18-24(30)25-23-17-20(2)26-29(23)21-7-4-3-5-8-21/h3-5,7-12,17H,6,13-16,18H2,1-2H3,(H,25,30)