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

Systemtic Name: 2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methyl]-1,3-benzothiazole CAS Name: 2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[(4-tosyl-1,4-diazepan-1-yl)methyl]-1,3-benzothiazole Formula: C20H23N3O2S2 MolecularWeight: 401.54552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H23N3O2S2/c1-16-7-9-17(10-8-16)27(24,25)23-12-4-11-22(13-14-23)15-20-21-18-5-2-3-6-19(18)26-20/h2-3,5-10H,4,11-15H2,1H3