[4-[2-[3-(3,5-dimethylphenoxy)propylcarbamoyl]hydrazinyl]-2-methyl-5-methylsulfonyl-phenyl] methanesulfinate

Systemtic Name: [4-[2-[3-(3,5-dimethylphenoxy)propylcarbamoyl]hydrazinyl]-2-methyl-5-methylsulfonyl-phenyl] methanesulfinate Openeye Name: [4-[2-[3-(3,5-dimethylphenoxy)propylcarbamoyl]hydrazino]-2-methyl-5-methylsulfonyl-phenyl] methanesulfinate CAS Name: methanesulfinic acid [4-[[[3-(3,5-dimethylphenoxy)propylamino]-oxomethyl]hydrazo]-2-methyl-5-methylsulfonylphenyl] ester IUPAC Name: [4-[2-[3-(3,5-dimethylphenoxy)propylcarbamoyl]hydrazinyl]-2-methyl-5-methylsulfonylphenyl] methanesulfinate Traditional Name: methanesulfinic acid [4-[N'-[3-(3,5-dimethylphenoxy)propylcarbamoyl]hydrazino]-5-mesyl-2-methyl-phenyl] ester Formula: C21H29N3O6S2 MolecularWeight: 483.60146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCCNC(=O)NNC2=C(C=C(C(=C2)C)OS(=O)C)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCCNC(=O)NNC2=C(C=C(C(=C2)C)OS(=O)C)S(=O)(=O)C)C

InChI

InChI=1S/C21H29N3O6S2/c1-14-9-15(2)11-17(10-14)29-8-6-7-22-21(25)24-23-18-12-16(3)19(30-31(4)26)13-20(18)32(5,27)28/h9-13,23H,6-8H2,1-5H3,(H2,22,24,25)