N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[2-(1-imidazol-1-ylethenyl)phenoxy]ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[2-(1-imidazol-1-ylethenyl)phenoxy]ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[2-(1-imidazol-1-ylvinyl)phenoxy]acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-[2-[1-(1-imidazolyl)ethenyl]phenoxy]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[2-(1-imidazol-1-ylethenyl)phenoxy]acetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[2-(1-imidazol-1-ylvinyl)phenoxy]acetamide Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC=CC=C1OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)N4C=CN=C4

Isomeric SMILES

C=C(C1=CC=CC=C1OCC(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCCC3)N4C=CN=C4

InChI

InChI=1S/C25H28N4O4S/c1-20(28-16-13-26-19-28)23-11-4-5-12-24(23)33-18-25(30)27-21-9-8-10-22(17-21)34(31,32)29-14-6-2-3-7-15-29/h4-5,8-13,16-17,19H,1-3,6-7,14-15,18H2,(H,27,30)