5-(azepan-1-yl)-2-(2,4-dichlorophenyl)-4-(phenylsulfonyl)-1,3-oxazole

Systemtic Name: 5-(azepan-1-yl)-2-(2,4-dichlorophenyl)-4-(phenylsulfonyl)-1,3-oxazole Openeye Name: 5-(azepan-1-yl)-4-(benzenesulfonyl)-2-(2,4-dichlorophenyl)oxazole CAS Name: 5-(1-azepanyl)-4-(benzenesulfonyl)-2-(2,4-dichlorophenyl)oxazole IUPAC Name: 5-(azepan-1-yl)-4-(benzenesulfonyl)-2-(2,4-dichlorophenyl)-1,3-oxazole Traditional Name: 5-(azepan-1-yl)-4-besyl-2-(2,4-dichlorophenyl)oxazole Formula: C21H20Cl2N2O3S MolecularWeight: 451.3661

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(N=C(O2)C3=C(C=C(C=C3)Cl)Cl)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C2=C(N=C(O2)C3=C(C=C(C=C3)Cl)Cl)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H20Cl2N2O3S/c22-15-10-11-17(18(23)14-15)19-24-20(29(26,27)16-8-4-3-5-9-16)21(28-19)25-12-6-1-2-7-13-25/h3-5,8-11,14H,1-2,6-7,12-13H2