N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(methylsulfonylamino)benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(methylsulfonylamino)benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(methanesulfonamido)benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(methanesulfonamido)benzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(methanesulfonamido)benzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(methanesulfonamido)benzamide Formula: C20H25N3O5S2 MolecularWeight: 451.5596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H25N3O5S2/c1-29(25,26)22-19-9-5-4-8-18(19)20(24)21-16-10-12-17(13-11-16)30(27,28)23-14-6-2-3-7-15-23/h4-5,8-13,22H,2-3,6-7,14-15H2,1H3,(H,21,24)