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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O6S2/c1-14-7-8-18(15(2)11-14)29-10-6-9-22-21(25)24-23-17-12-16(3)19(30-31(4)26)13-20(17)32(5,27)28/h7-8,11-13,23H,6,9-10H2,1-5H3,(H2,22,24,25)