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

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[4-bromanyl-2-(phenylcarbonyl)phenyl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-(2-benzoyl-4-bromo-phenyl)benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-(2-benzoyl-4-bromophenyl)benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-(2-benzoyl-4-bromophenyl)benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-(2-benzoyl-4-bromo-phenyl)benzamide Formula: C26H25BrN2O4S MolecularWeight: 541.4567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)Br)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=C(C=C3)Br)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H25BrN2O4S/c27-21-12-15-24(23(18-21)25(30)19-8-4-3-5-9-19)28-26(31)20-10-13-22(14-11-20)34(32,33)29-16-6-1-2-7-17-29/h3-5,8-15,18H,1-2,6-7,16-17H2,(H,28,31)