3,4-diethoxy-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide

Systemtic Name: 3,4-diethoxy-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide Openeye Name: 3,4-diethoxy-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide CAS Name: 3,4-diethoxy-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]benzenesulfonamide IUPAC Name: 3,4-diethoxy-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide Traditional Name: 3,4-diethoxy-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide Formula: C21H30N3O4S+ MolecularWeight: 420.5456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)C)OCC

InChI

InChI=1S/C21H29N3O4S/c1-4-27-20-11-10-19(16-21(20)28-5-2)29(25,26)22-17-6-8-18(9-7-17)24-14-12-23(3)13-15-24/h6-11,16,22H,4-5,12-15H2,1-3H3/p+1