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

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-(benzotriazol-1-yl)ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(benzotriazol-1-yl)acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-(1-benzotriazolyl)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-(benzotriazol-1-yl)acetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(benzotriazol-1-yl)acetamide Formula: C20H22ClN5O3S MolecularWeight: 447.93838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H22ClN5O3S/c21-16-10-9-15(30(28,29)25-11-5-1-2-6-12-25)13-18(16)22-20(27)14-26-19-8-4-3-7-17(19)23-24-26/h3-4,7-10,13H,1-2,5-6,11-12,14H2,(H,22,27)