(2R)-N-(2-chloranyl-5-nitro-phenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(2-chloranyl-5-nitro-phenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(2-chloro-5-nitro-phenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2R)-N-(2-chloro-5-nitrophenyl)-2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-N-(2-chloro-5-nitrophenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-(2-chloro-5-nitro-phenyl)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C21H26ClN4O5S+ MolecularWeight: 481.97294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O5S/c1-14-4-6-18(12-15(14)2)32(30,31)25-10-8-24(9-11-25)16(3)21(27)23-20-13-17(26(28)29)5-7-19(20)22/h4-7,12-13,16H,8-11H2,1-3H3,(H,23,27)/p+1/t16-/m1/s1