(2R)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-nitrophenyl)propanamide

Systemtic Name: (2R)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-nitrophenyl)propanamide Openeye Name: (2R)-N-(3-nitrophenyl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(3-nitrophenyl)propanamide IUPAC Name: (2R)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-nitrophenyl)propanamide Traditional Name: (2R)-N-(3-nitrophenyl)-2-(4-tosylpiperazin-1-ium-1-yl)propionamide Formula: C20H25N4O5S+ MolecularWeight: 433.5013

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O5S/c1-15-6-8-19(9-7-15)30(28,29)23-12-10-22(11-13-23)16(2)20(25)21-17-4-3-5-18(14-17)24(26)27/h3-9,14,16H,10-13H2,1-2H3,(H,21,25)/p+1/t16-/m1/s1