N-[4-(1,4-diazepan-1-yl)-2-(phenylsulfonylamino)phenyl]-4-methylsulfonyl-benzenesulfonamide

Systemtic Name: N-[4-(1,4-diazepan-1-yl)-2-(phenylsulfonylamino)phenyl]-4-methylsulfonyl-benzenesulfonamide Openeye Name: N-[2-(benzenesulfonamido)-4-(1,4-diazepan-1-yl)phenyl]-4-methylsulfonyl-benzenesulfonamide CAS Name: N-[2-(benzenesulfonamido)-4-(1,4-diazepan-1-yl)phenyl]-4-methylsulfonylbenzenesulfonamide IUPAC Name: N-[2-(benzenesulfonamido)-4-(1,4-diazepan-1-yl)phenyl]-4-methylsulfonylbenzenesulfonamide Traditional Name: N-[2-(benzenesulfonamido)-4-(1,4-diazepan-1-yl)phenyl]-4-mesyl-benzenesulfonamide Formula: C24H28N4O6S3 MolecularWeight: 564.69732

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)N3CCCNCC3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=C(C=C2)N3CCCNCC3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H28N4O6S3/c1-35(29,30)20-9-11-22(12-10-20)37(33,34)26-23-13-8-19(28-16-5-14-25-15-17-28)18-24(23)27-36(31,32)21-6-3-2-4-7-21/h2-4,6-13,18,25-27H,5,14-17H2,1H3