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

Systemtic Name: 4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-2-phenyl-1,3-thiazole Openeye Name: 2-phenyl-4-[[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methyl]thiazole CAS Name: 4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-2-phenylthiazole IUPAC Name: 4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-2-phenyl-1,3-thiazole Traditional Name: 2-phenyl-4-[(4-tosyl-1,4-diazepan-1-yl)methyl]thiazole Formula: C22H25N3O2S2 MolecularWeight: 427.5828

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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=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2S2/c1-18-8-10-21(11-9-18)29(26,27)25-13-5-12-24(14-15-25)16-20-17-28-22(23-20)19-6-3-2-4-7-19/h2-4,6-11,17H,5,12-16H2,1H3