4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-2-pyridin-2-yl-1,3-thiazole

Systemtic Name: 4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-2-pyridin-2-yl-1,3-thiazole Openeye Name: 4-[[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methyl]-2-(2-pyridyl)thiazole CAS Name: 4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-2-(2-pyridinyl)thiazole IUPAC Name: 4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-2-pyridin-2-yl-1,3-thiazole Traditional Name: 2-(2-pyridyl)-4-[(4-tosyl-1,4-diazepan-1-yl)methyl]thiazole Formula: C21H24N4O2S2 MolecularWeight: 428.57086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CSC(=N3)C4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=CSC(=N3)C4=CC=CC=N4

InChI

InChI=1S/C21H24N4O2S2/c1-17-6-8-19(9-7-17)29(26,27)25-12-4-11-24(13-14-25)15-18-16-28-21(23-18)20-5-2-3-10-22-20/h2-3,5-10,16H,4,11-15H2,1H3