methyl 3-[(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(2-methoxy-5-morpholinosulfonyl-phenyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-methoxy-5-(4-morpholinylsulfonyl)anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(2-methoxy-5-morpholin-4-ylsulfonylphenyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(2-methoxy-5-morpholinosulfonyl-phenyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H21N3O9S MolecularWeight: 479.46044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H21N3O9S/c1-30-18-4-3-16(33(28,29)22-5-7-32-8-6-22)12-17(18)21-19(24)13-9-14(20(25)31-2)11-15(10-13)23(26)27/h3-4,9-12H,5-8H2,1-2H3,(H,21,24)