3-[2-[(3,4-dimethoxyphenyl)sulfonyl-(4-methylphenyl)amino]ethanoylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[2-[(3,4-dimethoxyphenyl)sulfonyl-(4-methylphenyl)amino]ethanoylamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methyl-anilino)acetyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-1-oxoethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)acetyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methyl-anilino)acetyl]amino]propyl-dimethyl-ammonium Formula: C22H32N3O5S+ MolecularWeight: 450.57158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CC(=O)NCCC[NH+](C)C)S(=O)(=O)C2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)N(CC(=O)NCCC[NH+](C)C)S(=O)(=O)C2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C22H31N3O5S/c1-17-7-9-18(10-8-17)25(16-22(26)23-13-6-14-24(2)3)31(27,28)19-11-12-20(29-4)21(15-19)30-5/h7-12,15H,6,13-14,16H2,1-5H3,(H,23,26)/p+1