methyl 3-nitro-5-[(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[(2-oxidanyl-5-pyrrolidin-1-ylsulfonyl-phenyl)carbamoyl]benzoate Openeye Name: methyl 3-[(2-hydroxy-5-pyrrolidin-1-ylsulfonyl-phenyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-hydroxy-5-(1-pyrrolidinylsulfonyl)anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(2-hydroxy-5-pyrrolidinosulfonyl-phenyl)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=C(C=CC(=C2)S(=O)(=O)N3CCCC3)O)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCCC3)O)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O8S/c1-30-19(25)13-8-12(9-14(10-13)22(26)27)18(24)20-16-11-15(4-5-17(16)23)31(28,29)21-6-2-3-7-21/h4-5,8-11,23H,2-3,6-7H2,1H3,(H,20,24)