methyl 4-[(2,3-dimethyl-5-nitro-phenyl)sulfonyl-methyl-amino]butanoate

Systemtic Name: methyl 4-[(2,3-dimethyl-5-nitro-phenyl)sulfonyl-methyl-amino]butanoate Openeye Name: methyl 4-[(2,3-dimethyl-5-nitro-phenyl)sulfonyl-methyl-amino]butanoate CAS Name: 4-[(2,3-dimethyl-5-nitrophenyl)sulfonyl-methylamino]butanoic acid methyl ester IUPAC Name: methyl 4-[(2,3-dimethyl-5-nitrophenyl)sulfonyl-methylamino]butanoate Traditional Name: 4-[(2,3-dimethyl-5-nitro-phenyl)sulfonyl-methyl-amino]butyric acid methyl ester Formula: C14H20N2O6S MolecularWeight: 344.3834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)N(C)CCCC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)N(C)CCCC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C14H20N2O6S/c1-10-8-12(16(18)19)9-13(11(10)2)23(20,21)15(3)7-5-6-14(17)22-4/h8-9H,5-7H2,1-4H3