N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(benzotriazol-1-yl)ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(benzotriazol-1-yl)ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(benzotriazol-1-yl)acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(1-benzotriazolyl)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(benzotriazol-1-yl)acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(benzotriazol-1-yl)acetamide Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O3S/c26-20(15-25-19-8-4-3-7-18(19)22-23-25)21-16-9-11-17(12-10-16)29(27,28)24-13-5-1-2-6-14-24/h3-4,7-12H,1-2,5-6,13-15H2,(H,21,26)