N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(6-chloranylbenzotriazol-1-yl)oxy-ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(6-chloranylbenzotriazol-1-yl)oxy-ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(6-chlorobenzotriazol-1-yl)oxy-acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-[(6-chloro-1-benzotriazolyl)oxy]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(6-chlorobenzotriazol-1-yl)oxyacetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(6-chlorobenzotriazol-1-yl)oxy-acetamide Formula: C20H22ClN5O4S MolecularWeight: 463.93778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CON3C4=C(C=CC(=C4)Cl)N=N3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CON3C4=C(C=CC(=C4)Cl)N=N3

InChI

InChI=1S/C20H22ClN5O4S/c21-15-8-9-18-19(12-15)26(24-23-18)30-14-20(27)22-16-6-5-7-17(13-16)31(28,29)25-10-3-1-2-4-11-25/h5-9,12-13H,1-4,10-11,14H2,(H,22,27)