3-(2,4-dimethylphenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]propanamide

Systemtic Name: 3-(2,4-dimethylphenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]propanamide Openeye Name: 3-(2,4-dimethylphenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]propanamide CAS Name: 3-(2,4-dimethylphenoxy)-N-[4-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]phenyl]propanamide IUPAC Name: 3-(2,4-dimethylphenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]propanamide Traditional Name: 3-(2,4-dimethylphenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonylphenyl]propionamide Formula: C23H32N3O4S+ MolecularWeight: 446.58288

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCOC3=C(C=C(C=C3)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CCOC3=C(C=C(C=C3)C)C

InChI

InChI=1S/C23H31N3O4S/c1-4-25-12-14-26(15-13-25)31(28,29)21-8-6-20(7-9-21)24-23(27)11-16-30-22-10-5-18(2)17-19(22)3/h5-10,17H,4,11-16H2,1-3H3,(H,24,27)/p+1