N-[5-(1,4-diazepan-1-yl)-2-(methylsulfonylamino)phenyl]benzenesulfonamide

Systemtic Name: N-[5-(1,4-diazepan-1-yl)-2-(methylsulfonylamino)phenyl]benzenesulfonamide Openeye Name: N-[5-(1,4-diazepan-1-yl)-2-(methanesulfonamido)phenyl]benzenesulfonamide CAS Name: N-[5-(1,4-diazepan-1-yl)-2-(methanesulfonamido)phenyl]benzenesulfonamide IUPAC Name: N-[5-(1,4-diazepan-1-yl)-2-(methanesulfonamido)phenyl]benzenesulfonamide Traditional Name: N-[5-(1,4-diazepan-1-yl)-2-(methanesulfonamido)phenyl]benzenesulfonamide Formula: C18H24N4O4S2 MolecularWeight: 424.53756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O4S2/c1-27(23,24)20-17-9-8-15(22-12-5-10-19-11-13-22)14-18(17)21-28(25,26)16-6-3-2-4-7-16/h2-4,6-9,14,19-21H,5,10-13H2,1H3