N-[[4-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]methyl]-3-methoxy-benzenesulfonamide

Systemtic Name: N-[[4-(4-ethylpiperazin-4-ium-1-yl)carbonylphenyl]methyl]-3-methoxy-benzenesulfonamide Openeye Name: N-[[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]methyl]-3-methoxy-benzenesulfonamide CAS Name: N-[[4-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]phenyl]methyl]-3-methoxybenzenesulfonamide IUPAC Name: N-[[4-(4-ethylpiperazin-4-ium-1-carbonyl)phenyl]methyl]-3-methoxybenzenesulfonamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-carbonyl)benzyl]-3-methoxy-benzenesulfonamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O4S/c1-3-23-11-13-24(14-12-23)21(25)18-9-7-17(8-10-18)16-22-29(26,27)20-6-4-5-19(15-20)28-2/h4-10,15,22H,3,11-14,16H2,1-2H3/p+1