3-(4-ethylpiperazin-4-ium-1-yl)carbonyl-N-(4-methoxyphenyl)-4-methyl-benzenesulfonamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)OC)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)OC)C

InChI

InChI=1S/C21H27N3O4S/c1-4-23-11-13-24(14-12-23)21(25)20-15-19(10-5-16(20)2)29(26,27)22-17-6-8-18(28-3)9-7-17/h5-10,15,22H,4,11-14H2,1-3H3/p+1