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

Systemtic Name: methyl 3-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(4-morpholinosulfonylphenyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-(4-morpholinylsulfonyl)anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(4-morpholin-4-ylsulfonylphenyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(4-morpholinosulfonylphenyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C19H19N3O8S MolecularWeight: 449.43446

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O8S/c1-29-19(24)14-10-13(11-16(12-14)22(25)26)18(23)20-15-2-4-17(5-3-15)31(27,28)21-6-8-30-9-7-21/h2-5,10-12H,6-9H2,1H3,(H,20,23)