2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-N-phenyl-ethanamide

Systemtic Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-N-phenyl-ethanamide Openeye Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-N-phenyl-acetamide CAS Name: 2-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-ethyl-N-phenylacetamide IUPAC Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-N-phenylacetamide Traditional Name: 2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-ethyl-N-phenyl-acetamide Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C22H29N3O3S/c1-4-25(20-8-6-5-7-9-20)22(26)17-23-12-14-24(15-13-23)29(27,28)21-16-18(2)10-11-19(21)3/h5-11,16H,4,12-15,17H2,1-3H3/p+1