methyl 3-[[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[(3-morpholin-4-ylsulfonylphenyl)carbonylamino]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[(3-morpholinosulfonylbenzoyl)amino]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[[3-(4-morpholinylsulfonyl)phenyl]-oxomethyl]hydrazo]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[(3-morpholin-4-ylsulfonylbenzoyl)amino]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[(3-morpholinosulfonylbenzoyl)amino]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H20N4O9S MolecularWeight: 492.4592

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O9S/c1-32-20(27)15-9-14(10-16(11-15)24(28)29)19(26)22-21-18(25)13-3-2-4-17(12-13)34(30,31)23-5-7-33-8-6-23/h2-4,9-12H,5-8H2,1H3,(H,21,25)(H,22,26)