N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-1,3-benzoxazol-2-amine

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-1,3-benzoxazol-2-amine Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-1,3-benzoxazol-2-amine CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-1,3-benzoxazol-2-amine IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-1,3-benzoxazol-2-amine Traditional Name: [5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-(1,3-benzoxazol-2-yl)amine Formula: C19H20ClN3O3S MolecularWeight: 405.8984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C19H20ClN3O3S/c20-15-10-9-14(27(24,25)23-11-5-1-2-6-12-23)13-17(15)22-19-21-16-7-3-4-8-18(16)26-19/h3-4,7-10,13H,1-2,5-6,11-12H2,(H,21,22)