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

Systemtic Name: 2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,3-benzoxazole Openeye Name: 2-[[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methyl]-1,3-benzoxazole CAS Name: 2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,3-benzoxazole IUPAC Name: 2-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-1,3-benzoxazole Traditional Name: 2-[(4-tosyl-1,4-diazepan-1-yl)methyl]-1,3-benzoxazole Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H23N3O3S/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