methyl 4-[methyl-(4-methyl-3-nitro-phenyl)sulfonyl-amino]butanoate

Systemtic Name: methyl 4-[methyl-(4-methyl-3-nitro-phenyl)sulfonyl-amino]butanoate Openeye Name: methyl 4-[methyl-(4-methyl-3-nitro-phenyl)sulfonyl-amino]butanoate CAS Name: 4-[methyl-(4-methyl-3-nitrophenyl)sulfonylamino]butanoic acid methyl ester IUPAC Name: methyl 4-[methyl-(4-methyl-3-nitrophenyl)sulfonylamino]butanoate Traditional Name: 4-[methyl-(4-methyl-3-nitro-phenyl)sulfonyl-amino]butyric acid methyl ester Formula: C13H18N2O6S MolecularWeight: 330.35682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)CCCC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)CCCC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O6S/c1-10-6-7-11(9-12(10)15(17)18)22(19,20)14(2)8-4-5-13(16)21-3/h6-7,9H,4-5,8H2,1-3H3