3-(4-ethylpiperazin-4-ium-1-yl)carbonyl-N-phenyl-N-prop-2-enyl-benzenesulfonamide

Systemtic Name: 3-(4-ethylpiperazin-4-ium-1-yl)carbonyl-N-phenyl-N-prop-2-enyl-benzenesulfonamide Openeye Name: N-allyl-3-(4-ethylpiperazin-4-ium-1-carbonyl)-N-phenyl-benzenesulfonamide CAS Name: 3-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-N-phenyl-N-prop-2-enylbenzenesulfonamide IUPAC Name: 3-(4-ethylpiperazin-4-ium-1-carbonyl)-N-phenyl-N-prop-2-enylbenzenesulfonamide Traditional Name: N-allyl-3-(4-ethylpiperazin-4-ium-1-carbonyl)-N-phenyl-benzenesulfonamide Formula: C22H28N3O3S+ MolecularWeight: 414.54102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-3-13-25(20-10-6-5-7-11-20)29(27,28)21-12-8-9-19(18-21)22(26)24-16-14-23(4-2)15-17-24/h3,5-12,18H,1,4,13-17H2,2H3/p+1