methyl 3-[2-[[3-(diazanylmethylideneamino)phenyl]carbonylamino]ethanoylamino]-4-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: methyl 3-[2-[[3-(diazanylmethylideneamino)phenyl]carbonylamino]ethanoylamino]-4-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: methyl 3-[[2-[[3-(hydrazinomethyleneamino)benzoyl]amino]acetyl]amino]-4-(p-tolylsulfonylamino)butanoate CAS Name: 3-[[2-[[[3-(hydrazinylmethylideneamino)phenyl]-oxomethyl]amino]-1-oxoethyl]amino]-4-[(4-methylphenyl)sulfonylamino]butanoic acid methyl ester IUPAC Name: methyl 3-[[2-[[3-(hydrazinylmethylideneamino)benzoyl]amino]acetyl]amino]-4-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: 3-[[2-[[3-(hydrazinomethyleneamino)benzoyl]amino]acetyl]amino]-4-(tosylamino)butyric acid methyl ester Formula: C22H28N6O6S MolecularWeight: 504.55932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCC(CC(=O)OC)NC(=O)CNC(=O)C2=CC(=CC=C2)N=CNN

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCC(CC(=O)OC)NC(=O)CNC(=O)C2=CC(=CC=C2)N=CNN

InChI

InChI=1S/C22H28N6O6S/c1-15-6-8-19(9-7-15)35(32,33)27-12-18(11-21(30)34-2)28-20(29)13-24-22(31)16-4-3-5-17(10-16)25-14-26-23/h3-10,14,18,27H,11-13,23H2,1-2H3,(H,24,31)(H,25,26)(H,28,29)