methyl 4-[[2-[1,3-benzodioxol-5-ylmethyl-(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-amino]-3-(oxidanylamino)-3-oxidanylidene-propyl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[2-[1,3-benzodioxol-5-ylmethyl-(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-amino]-3-(oxidanylamino)-3-oxidanylidene-propyl]carbamoyl]benzoate Openeye Name: methyl 4-[[2-[1,3-benzodioxol-5-ylmethyl-(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-amino]-3-(hydroxyamino)-3-oxo-propyl]carbamoyl]benzoate CAS Name: 4-[[[2-[1,3-benzodioxol-5-ylmethyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]-3-(hydroxyamino)-3-oxopropyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[1,3-benzodioxol-5-ylmethyl-(4-methoxy-2,6-dimethylphenyl)sulfonylamino]-3-(hydroxyamino)-3-oxopropyl]carbamoyl]benzoate Traditional Name: 4-[[3-(hydroxyamino)-3-keto-2-[(4-methoxy-2,6-dimethyl-phenyl)sulfonyl-piperonyl-amino]propyl]carbamoyl]benzoic acid methyl ester Formula: C29H31N3O10S MolecularWeight: 613.63554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N(CC2=CC3=C(C=C2)OCO3)C(CNC(=O)C4=CC=C(C=C4)C(=O)OC)C(=O)NO)C)OC

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N(CC2=CC3=C(C=C2)OCO3)C(CNC(=O)C4=CC=C(C=C4)C(=O)OC)C(=O)NO)C)OC

InChI

InChI=1S/C29H31N3O10S/c1-17-11-22(39-3)12-18(2)26(17)43(37,38)32(15-19-5-10-24-25(13-19)42-16-41-24)23(28(34)31-36)14-30-27(33)20-6-8-21(9-7-20)29(35)40-4/h5-13,23,36H,14-16H2,1-4H3,(H,30,33)(H,31,34)