N-[4-(1,4-diazepan-1-yl)-2-(methylsulfonylamino)phenyl]naphthalene-1-sulfonamide

Systemtic Name: N-[4-(1,4-diazepan-1-yl)-2-(methylsulfonylamino)phenyl]naphthalene-1-sulfonamide Openeye Name: N-[4-(1,4-diazepan-1-yl)-2-(methanesulfonamido)phenyl]naphthalene-1-sulfonamide CAS Name: N-[4-(1,4-diazepan-1-yl)-2-(methanesulfonamido)phenyl]-1-naphthalenesulfonamide IUPAC Name: N-[4-(1,4-diazepan-1-yl)-2-(methanesulfonamido)phenyl]naphthalene-1-sulfonamide Traditional Name: N-[4-(1,4-diazepan-1-yl)-2-(methanesulfonamido)phenyl]naphthalene-1-sulfonamide Formula: C22H26N4O4S2 MolecularWeight: 474.59624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=CC(=C1)N2CCCNCC2)NS(=O)(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CS(=O)(=O)NC1=C(C=CC(=C1)N2CCCNCC2)NS(=O)(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H26N4O4S2/c1-31(27,28)24-21-16-18(26-14-5-12-23-13-15-26)10-11-20(21)25-32(29,30)22-9-4-7-17-6-2-3-8-19(17)22/h2-4,6-11,16,23-25H,5,12-15H2,1H3