methyl 2-[2-[[2-chloranyl-5-[2-(2,4-dimethylphenoxy)butanoylamino]phenyl]carbamoyl]hydrazinyl]-4,5-diisocyano-benzenesulfinate

Systemtic Name: methyl 2-[2-[[2-chloranyl-5-[2-(2,4-dimethylphenoxy)butanoylamino]phenyl]carbamoyl]hydrazinyl]-4,5-diisocyano-benzenesulfinate Openeye Name: methyl 2-[2-[[2-chloro-5-[2-(2,4-dimethylphenoxy)butanoylamino]phenyl]carbamoyl]hydrazino]-4,5-diisocyano-benzenesulfinate CAS Name: 2-[[[2-chloro-5-[[2-(2,4-dimethylphenoxy)-1-oxobutyl]amino]anilino]-oxomethyl]hydrazo]-4,5-diisocyanobenzenesulfinic acid methyl ester IUPAC Name: methyl 2-[2-[[2-chloro-5-[2-(2,4-dimethylphenoxy)butanoylamino]phenyl]carbamoyl]hydrazinyl]-4,5-diisocyanobenzenesulfinate Traditional Name: 2-[N'-[[2-chloro-5-[2-(2,4-dimethylphenoxy)butanoylamino]phenyl]carbamoyl]hydrazino]-4,5-diisocyano-benzenesulfinic acid methyl ester Formula: C28H27ClN6O5S MolecularWeight: 595.06918

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)Cl)NC(=O)NNC2=C(C=C(C(=C2)[N+]#[C-])[N+]#[C-])S(=O)OC)OC3=C(C=C(C=C3)C)C

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)Cl)NC(=O)NNC2=C(C=C(C(=C2)[N+]#[C-])[N+]#[C-])S(=O)OC)OC3=C(C=C(C=C3)C)C

InChI

InChI=1S/C28H27ClN6O5S/c1-7-24(40-25-11-8-16(2)12-17(25)3)27(36)32-18-9-10-19(29)20(13-18)33-28(37)35-34-23-14-21(30-4)22(31-5)15-26(23)41(38)39-6/h8-15,24,34H,7H2,1-3,6H3,(H,32,36)(H2,33,35,37)