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

Systemtic Name: (2R)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-nitrophenyl)propanamide Openeye Name: (2R)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-nitrophenyl)propanamide CAS Name: (2R)-2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(3-nitrophenyl)propanamide IUPAC Name: (2R)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-nitrophenyl)propanamide Traditional Name: (2R)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3-nitrophenyl)propionamide Formula: C21H27N4O5S+ MolecularWeight: 447.52788

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O5S/c1-15-7-8-20(13-16(15)2)31(29,30)24-11-9-23(10-12-24)17(3)21(26)22-18-5-4-6-19(14-18)25(27)28/h4-8,13-14,17H,9-12H2,1-3H3,(H,22,26)/p+1/t17-/m1/s1