N1,N4-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide

Systemtic Name: N1,N4-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis[4-(azepan-1-ylsulfonyl)phenyl]terephthalamide CAS Name: N1,N4-bis[4-(1-azepanylsulfonyl)phenyl]benzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide Traditional Name: N,N'-bis[4-(azepan-1-ylsulfonyl)phenyl]terephthalamide Formula: C32H38N4O6S2 MolecularWeight: 638.79732

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)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C32H38N4O6S2/c37-31(33-27-13-17-29(18-14-27)43(39,40)35-21-5-1-2-6-22-35)25-9-11-26(12-10-25)32(38)34-28-15-19-30(20-16-28)44(41,42)36-23-7-3-4-8-24-36/h9-20H,1-8,21-24H2,(H,33,37)(H,34,38)