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

Systemtic Name: N-[4-(1,4-diazepan-1-yl)-2-(phenylsulfonylamino)phenyl]-N,4-dimethyl-benzenesulfonamide Openeye Name: N-[2-(benzenesulfonamido)-4-(1,4-diazepan-1-yl)phenyl]-N,4-dimethyl-benzenesulfonamide CAS Name: N-[2-(benzenesulfonamido)-4-(1,4-diazepan-1-yl)phenyl]-N,4-dimethylbenzenesulfonamide IUPAC Name: N-[2-(benzenesulfonamido)-4-(1,4-diazepan-1-yl)phenyl]-N,4-dimethylbenzenesulfonamide Traditional Name: N-[2-(benzenesulfonamido)-4-(1,4-diazepan-1-yl)phenyl]-N,4-dimethyl-benzenesulfonamide Formula: C25H30N4O4S2 MolecularWeight: 514.6601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=C(C=C2)N3CCCNCC3)NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=C(C=C(C=C2)N3CCCNCC3)NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O4S2/c1-20-9-12-23(13-10-20)35(32,33)28(2)25-14-11-21(29-17-6-15-26-16-18-29)19-24(25)27-34(30,31)22-7-4-3-5-8-22/h3-5,7-14,19,26-27H,6,15-18H2,1-2H3