N-[4-(azepan-1-ylsulfonyl)phenyl]-3-bromanyl-4-phenethyloxy-benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-bromanyl-4-phenethyloxy-benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-bromo-4-phenethyloxy-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-bromo-4-phenethyloxybenzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-bromo-4-phenethyloxybenzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-bromo-4-phenethyloxy-benzamide Formula: C27H29BrN2O4S MolecularWeight: 557.49916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)OCCC4=CC=CC=C4)Br

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)OCCC4=CC=CC=C4)Br

InChI

InChI=1S/C27H29BrN2O4S/c28-25-20-22(10-15-26(25)34-19-16-21-8-4-3-5-9-21)27(31)29-23-11-13-24(14-12-23)35(32,33)30-17-6-1-2-7-18-30/h3-5,8-15,20H,1-2,6-7,16-19H2,(H,29,31)