(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)propanamide

Systemtic Name: (2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)propanamide Openeye Name: (2R)-N-benzyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2R)-2-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(phenylmethyl)propanamide IUPAC Name: (2R)-N-benzyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-benzyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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