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

Systemtic Name: methyl 3-[(2-methoxy-5-pentan-3-ylsulfonyl-phenyl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[5-(1-ethylpropylsulfonyl)-2-methoxy-phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[(2-methoxy-5-pentan-3-ylsulfonylanilino)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(2-methoxy-5-pentan-3-ylsulfonylphenyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[5-(1-ethylpropylsulfonyl)-2-methoxy-phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C21H24N2O8S MolecularWeight: 464.48886

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCC(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H24N2O8S/c1-5-16(6-2)32(28,29)17-7-8-19(30-3)18(12-17)22-20(24)13-9-14(21(25)31-4)11-15(10-13)23(26)27/h7-12,16H,5-6H2,1-4H3,(H,22,24)