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

Systemtic Name: 2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,3-thiazole Openeye Name: 2-[[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methyl]thiazole CAS Name: 2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]thiazole IUPAC Name: 2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,3-thiazole Traditional Name: 2-[(4-tosyl-1,4-diazepan-1-yl)methyl]thiazole Formula: C16H21N3O2S2 MolecularWeight: 351.48684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=NC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=NC=CS3

InChI

InChI=1S/C16H21N3O2S2/c1-14-3-5-15(6-4-14)23(20,21)19-9-2-8-18(10-11-19)13-16-17-7-12-22-16/h3-7,12H,2,8-11,13H2,1H3