(2R)-N-(2-chloranyl-5-nitro-phenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(2-chloranyl-5-nitro-phenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(2-chloro-5-nitro-phenyl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(2-chloro-5-nitrophenyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(2-chloro-5-nitrophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(2-chloro-5-nitro-phenyl)-2-(4-tosylpiperazin-1-ium-1-yl)propionamide Formula: C20H24ClN4O5S+ MolecularWeight: 467.94636

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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=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN4O5S/c1-14-3-6-17(7-4-14)31(29,30)24-11-9-23(10-12-24)15(2)20(26)22-19-13-16(25(27)28)5-8-18(19)21/h3-8,13,15H,9-12H2,1-2H3,(H,22,26)/p+1/t15-/m1/s1