2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methyl-5-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methyl-5-nitro-phenyl)ethanamide Openeye Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methyl-5-nitro-phenyl)acetamide CAS Name: 2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]-N-(2-methyl-5-nitrophenyl)acetamide IUPAC Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methyl-5-nitrophenyl)acetamide Traditional Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methyl-5-nitro-phenyl)acetamide 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)CC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C)C

Isomeric SMILES

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

InChI

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