N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(benzotriazol-1-yl)ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(benzotriazol-1-yl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(benzotriazol-1-yl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-methoxyphenyl]-2-(1-benzotriazolyl)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(benzotriazol-1-yl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(benzotriazol-1-yl)acetamide Formula: C21H25N5O4S MolecularWeight: 443.5193

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)NC(=O)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H25N5O4S/c1-30-20-11-10-16(31(28,29)25-12-6-2-3-7-13-25)14-18(20)22-21(27)15-26-19-9-5-4-8-17(19)23-24-26/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,22,27)