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

Systemtic Name: N-[4-(1,4-diazepan-1-yl)-2-(phenylsulfonylamino)phenyl]-2,5-dimethoxy-benzenesulfonamide Openeye Name: N-[2-(benzenesulfonamido)-4-(1,4-diazepan-1-yl)phenyl]-2,5-dimethoxy-benzenesulfonamide CAS Name: N-[2-(benzenesulfonamido)-4-(1,4-diazepan-1-yl)phenyl]-2,5-dimethoxybenzenesulfonamide IUPAC Name: N-[2-(benzenesulfonamido)-4-(1,4-diazepan-1-yl)phenyl]-2,5-dimethoxybenzenesulfonamide Traditional Name: N-[2-(benzenesulfonamido)-4-(1,4-diazepan-1-yl)phenyl]-2,5-dimethoxy-benzenesulfonamide Formula: C25H30N4O6S2 MolecularWeight: 546.6589

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=C(C=C(C=C2)N3CCCNCC3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)NC2=C(C=C(C=C2)N3CCCNCC3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O6S2/c1-34-20-10-12-24(35-2)25(18-20)37(32,33)27-22-11-9-19(29-15-6-13-26-14-16-29)17-23(22)28-36(30,31)21-7-4-3-5-8-21/h3-5,7-12,17-18,26-28H,6,13-16H2,1-2H3