methyl 2-[2-[3-(2,4-dimethylphenoxy)propylcarbamoyl]hydrazinyl]-4,5-diisocyano-benzenesulfinate

Systemtic Name: methyl 2-[2-[3-(2,4-dimethylphenoxy)propylcarbamoyl]hydrazinyl]-4,5-diisocyano-benzenesulfinate Openeye Name: methyl 2-[2-[3-(2,4-dimethylphenoxy)propylcarbamoyl]hydrazino]-4,5-diisocyano-benzenesulfinate CAS Name: 2-[[[3-(2,4-dimethylphenoxy)propylamino]-oxomethyl]hydrazo]-4,5-diisocyanobenzenesulfinic acid methyl ester IUPAC Name: methyl 2-[2-[3-(2,4-dimethylphenoxy)propylcarbamoyl]hydrazinyl]-4,5-diisocyanobenzenesulfinate Traditional Name: 2-[N'-[3-(2,4-dimethylphenoxy)propylcarbamoyl]hydrazino]-4,5-diisocyano-benzenesulfinic acid methyl ester Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCNC(=O)NNC2=C(C=C(C(=C2)[N+]#[C-])[N+]#[C-])S(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCNC(=O)NNC2=C(C=C(C(=C2)[N+]#[C-])[N+]#[C-])S(=O)OC)C

InChI

InChI=1S/C21H23N5O4S/c1-14-7-8-19(15(2)11-14)30-10-6-9-24-21(27)26-25-18-12-16(22-3)17(23-4)13-20(18)31(28)29-5/h7-8,11-13,25H,6,9-10H2,1-2,5H3,(H2,24,26,27)