N-(2,3-dimethylphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)carbonyl-benzenesulfonamide

Systemtic Name: N-(2,3-dimethylphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)carbonyl-benzenesulfonamide Openeye Name: N-(2,3-dimethylphenyl)-4-(4-ethylpiperazin-4-ium-1-carbonyl)benzenesulfonamide CAS Name: N-(2,3-dimethylphenyl)-4-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]benzenesulfonamide IUPAC Name: N-(2,3-dimethylphenyl)-4-(4-ethylpiperazin-4-ium-1-carbonyl)benzenesulfonamide Traditional Name: N-(2,3-dimethylphenyl)-4-(4-ethylpiperazin-4-ium-1-carbonyl)benzenesulfonamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC(=C3C)C

InChI

InChI=1S/C21H27N3O3S/c1-4-23-12-14-24(15-13-23)21(25)18-8-10-19(11-9-18)28(26,27)22-20-7-5-6-16(2)17(20)3/h5-11,22H,4,12-15H2,1-3H3/p+1