4-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole

Systemtic Name: 4-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole Openeye Name: 4-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanylmethyl]-2-(p-tolyl)oxazole CAS Name: 4-[[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]methyl]-2-(4-methylphenyl)oxazole IUPAC Name: 4-[[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-oxazole Traditional Name: 4-[[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]methyl]-2-(p-tolyl)oxazole Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CO2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CO2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C22H25N3O3S2/c1-17-6-8-18(9-7-17)22-24-19(15-28-22)16-29-21-11-10-20(14-23-21)30(26,27)25-12-4-2-3-5-13-25/h6-11,14-15H,2-5,12-13,16H2,1H3