5-(azepan-1-yl)-4-(4-methylphenyl)sulfonyl-2-(3-nitrophenyl)-1,3-oxazole

Systemtic Name: 5-(azepan-1-yl)-4-(4-methylphenyl)sulfonyl-2-(3-nitrophenyl)-1,3-oxazole Openeye Name: 5-(azepan-1-yl)-2-(3-nitrophenyl)-4-(p-tolylsulfonyl)oxazole CAS Name: 5-(1-azepanyl)-4-(4-methylphenyl)sulfonyl-2-(3-nitrophenyl)oxazole IUPAC Name: 5-(azepan-1-yl)-4-(4-methylphenyl)sulfonyl-2-(3-nitrophenyl)-1,3-oxazole Traditional Name: 5-(azepan-1-yl)-2-(3-nitrophenyl)-4-tosyl-oxazole Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC(=CC=C3)[N+](=O)[O-])N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC(=CC=C3)[N+](=O)[O-])N4CCCCCC4

InChI

InChI=1S/C22H23N3O5S/c1-16-9-11-19(12-10-16)31(28,29)21-22(24-13-4-2-3-5-14-24)30-20(23-21)17-7-6-8-18(15-17)25(26)27/h6-12,15H,2-5,13-14H2,1H3