(2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C21H26N3O6S+ MolecularWeight: 448.51264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)[NH+]3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C21H25N3O6S/c1-15(21(25)22-16-3-8-19-20(13-16)30-14-29-19)23-9-11-24(12-10-23)31(26,27)18-6-4-17(28-2)5-7-18/h3-8,13,15H,9-12,14H2,1-2H3,(H,22,25)/p+1/t15-/m1/s1