1-[(3,5-dimethylphenyl)amino]ethylidene-methyl-[2-[(4-nitrophenyl)sulfonyl-prop-2-enyl-amino]ethyl]azanium

Systemtic Name: 1-[(3,5-dimethylphenyl)amino]ethylidene-methyl-[2-[(4-nitrophenyl)sulfonyl-prop-2-enyl-amino]ethyl]azanium Openeye Name: 2-[allyl-(4-nitrophenyl)sulfonyl-amino]ethyl-[1-(3,5-dimethylanilino)ethylidene]-methyl-ammonium CAS Name: 1-(3,5-dimethylanilino)ethylidene-methyl-[2-[(4-nitrophenyl)sulfonyl-prop-2-enylamino]ethyl]ammonium IUPAC Name: 1-(3,5-dimethylanilino)ethylidene-methyl-[2-[(4-nitrophenyl)sulfonyl-prop-2-enylamino]ethyl]azanium Traditional Name: 2-[allyl(nosyl)amino]ethyl-[1-(3,5-dimethylanilino)ethylidene]-methyl-ammonium Formula: C22H29N4O4S+ MolecularWeight: 445.55506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=[N+](C)CCN(CC=C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=[N+](C)CCN(CC=C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C)C

InChI

InChI=1S/C22H28N4O4S/c1-6-11-25(31(29,30)22-9-7-21(8-10-22)26(27)28)13-12-24(5)19(4)23-20-15-17(2)14-18(3)16-20/h6-10,14-16H,1,11-13H2,2-5H3/p+1