methyl 2-[2-ethylbutyl-(2-methyl-5-nitro-phenyl)sulfonyl-amino]ethanoate

Systemtic Name: methyl 2-[2-ethylbutyl-(2-methyl-5-nitro-phenyl)sulfonyl-amino]ethanoate Openeye Name: methyl 2-[2-ethylbutyl-(2-methyl-5-nitro-phenyl)sulfonyl-amino]acetate CAS Name: 2-[2-ethylbutyl-(2-methyl-5-nitrophenyl)sulfonylamino]acetic acid methyl ester IUPAC Name: methyl 2-[2-ethylbutyl-(2-methyl-5-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[2-ethylbutyl-(2-methyl-5-nitro-phenyl)sulfonyl-amino]acetic acid methyl ester Formula: C16H24N2O6S MolecularWeight: 372.43656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O6S/c1-5-13(6-2)10-17(11-16(19)24-4)25(22,23)15-9-14(18(20)21)8-7-12(15)3/h7-9,13H,5-6,10-11H2,1-4H3