ethyl 3-[[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[[2-[methyl(p-tolylsulfonyl)amino]acetyl]amino]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]hydrazo]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[[2-[methyl(tosyl)amino]acetyl]amino]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H22N4O8S MolecularWeight: 478.47568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NNC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NNC(=O)CN(C)S(=O)(=O)C2=CC=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O8S/c1-4-32-20(27)15-9-14(10-16(11-15)24(28)29)19(26)22-21-18(25)12-23(3)33(30,31)17-7-5-13(2)6-8-17/h5-11H,4,12H2,1-3H3,(H,21,25)(H,22,26)