N'-(3,5-dimethylphenyl)-N-methyl-N-[2-[(4-nitrophenyl)sulfonyl-prop-2-enyl-amino]ethyl]ethanimidamide

Systemtic Name: N'-(3,5-dimethylphenyl)-N-methyl-N-[2-[(4-nitrophenyl)sulfonyl-prop-2-enyl-amino]ethyl]ethanimidamide Openeye Name: N-[2-[allyl-(4-nitrophenyl)sulfonyl-amino]ethyl]-N'-(3,5-dimethylphenyl)-N-methyl-acetamidine CAS Name: N'-(3,5-dimethylphenyl)-N-methyl-N-[2-[(4-nitrophenyl)sulfonyl-prop-2-enylamino]ethyl]ethanimidamide IUPAC Name: N'-(3,5-dimethylphenyl)-N-methyl-N-[2-[(4-nitrophenyl)sulfonyl-prop-2-enylamino]ethyl]ethanimidamide Traditional Name: N-[2-[allyl(nosyl)amino]ethyl]-N'-(3,5-dimethylphenyl)-N-methyl-acetamidine Formula: C22H28N4O4S MolecularWeight: 444.54712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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