(2R)-N-[(4-methoxyphenyl)methyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-[(4-methoxyphenyl)methyl]-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide CAS Name: (2R)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-[(4-methoxyphenyl)methyl]propanamide IUPAC Name: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide Traditional Name: (2R)-2-(4-besylpiperazin-1-ium-1-yl)-N-p-anisyl-propionamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=C(C=C1)OC)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O4S/c1-17(21(25)22-16-18-8-10-19(28-2)11-9-18)23-12-14-24(15-13-23)29(26,27)20-6-4-3-5-7-20/h3-11,17H,12-16H2,1-2H3,(H,22,25)/p+1/t17-/m1/s1