2-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-propyl-acetamide CAS Name: 2-[4-(2-methoxy-5-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-propylacetamide IUPAC Name: 2-[4-(2-methoxy-5-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-propylacetamide Traditional Name: 2-[4-(2-methoxy-5-methyl-phenyl)sulfonylpiperazin-1-ium-1-yl]-N-propyl-acetamide Formula: C17H28N3O4S+ MolecularWeight: 370.48692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O4S/c1-4-7-18-17(21)13-19-8-10-20(11-9-19)25(22,23)16-12-14(2)5-6-15(16)24-3/h5-6,12H,4,7-11,13H2,1-3H3,(H,18,21)/p+1