(2R)-N-(3-methoxyphenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(3-methoxyphenyl)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(3-methoxyphenyl)propanamide CAS Name: (2R)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-N-(3-methoxyphenyl)propanamide IUPAC Name: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(3-methoxyphenyl)propanamide Traditional Name: (2R)-2-(4-besylpiperazin-1-ium-1-yl)-N-(3-methoxyphenyl)propionamide Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)OC)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)OC)[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H25N3O4S/c1-16(20(24)21-17-7-6-8-18(15-17)27-2)22-11-13-23(14-12-22)28(25,26)19-9-4-3-5-10-19/h3-10,15-16H,11-14H2,1-2H3,(H,21,24)/p+1/t16-/m1/s1