5-methyl-4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole

Systemtic Name: 5-methyl-4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole Openeye Name: 5-methyl-4-[[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]methyl]-2-(2-thienyl)oxazole CAS Name: 5-methyl-4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-2-thiophen-2-yloxazole IUPAC Name: 5-methyl-4-[[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole Traditional Name: 5-methyl-2-(2-thienyl)-4-[(4-tosyl-1,4-diazepan-1-yl)methyl]oxazole Formula: C21H25N3O3S2 MolecularWeight: 431.5715

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=C(OC(=N3)C4=CC=CS4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)CC3=C(OC(=N3)C4=CC=CS4)C

InChI

InChI=1S/C21H25N3O3S2/c1-16-6-8-18(9-7-16)29(25,26)24-11-4-10-23(12-13-24)15-19-17(2)27-21(22-19)20-5-3-14-28-20/h3,5-9,14H,4,10-13,15H2,1-2H3