3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-chloranyl-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-chloro-N-[4-(2-quinoxalinylsulfamoyl)phenyl]benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-chloro-N-[4-(quinoxalin-2-ylsulfamoyl)phenyl]benzamide Formula: C27H26ClN5O5S2 MolecularWeight: 600.10884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC5=CC=CC=C5N=C4)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC5=CC=CC=C5N=C4)Cl

InChI

InChI=1S/C27H26ClN5O5S2/c28-22-14-9-19(17-25(22)40(37,38)33-15-5-1-2-6-16-33)27(34)30-20-10-12-21(13-11-20)39(35,36)32-26-18-29-23-7-3-4-8-24(23)31-26/h3-4,7-14,17-18H,1-2,5-6,15-16H2,(H,30,34)(H,31,32)