N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,4-dimethoxy-benzenesulfonamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,4-dimethoxy-benzenesulfonamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,4-dimethoxy-benzenesulfonamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3,4-dimethoxybenzenesulfonamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,4-dimethoxybenzenesulfonamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3,4-dimethoxy-benzenesulfonamide Formula: C20H28N3O4S+ MolecularWeight: 406.51902

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H27N3O4S/c1-4-22-11-13-23(14-12-22)17-7-5-16(6-8-17)21-28(24,25)18-9-10-19(26-2)20(15-18)27-3/h5-10,15,21H,4,11-14H2,1-3H3/p+1