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

Systemtic Name: 5-(azepan-1-yl)-2-(4-bromophenyl)-4-(phenylsulfonyl)-1,3-oxazole Openeye Name: 5-(azepan-1-yl)-4-(benzenesulfonyl)-2-(4-bromophenyl)oxazole CAS Name: 5-(1-azepanyl)-4-(benzenesulfonyl)-2-(4-bromophenyl)oxazole IUPAC Name: 5-(azepan-1-yl)-4-(benzenesulfonyl)-2-(4-bromophenyl)-1,3-oxazole Traditional Name: 5-(azepan-1-yl)-4-besyl-2-(4-bromophenyl)oxazole Formula: C21H21BrN2O3S MolecularWeight: 461.37204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2O3S/c22-17-12-10-16(11-13-17)19-23-20(28(25,26)18-8-4-3-5-9-18)21(27-19)24-14-6-1-2-7-15-24/h3-5,8-13H,1-2,6-7,14-15H2