[4-[butanoyl-(2-methyl-5-nitro-phenyl)sulfonyl-amino]phenyl] butanoate

Systemtic Name: [4-[butanoyl-(2-methyl-5-nitro-phenyl)sulfonyl-amino]phenyl] butanoate Openeye Name: [4-[butanoyl-(2-methyl-5-nitro-phenyl)sulfonyl-amino]phenyl] butanoate CAS Name: butanoic acid [4-[(2-methyl-5-nitrophenyl)sulfonyl-(1-oxobutyl)amino]phenyl] ester IUPAC Name: [4-[butanoyl-(2-methyl-5-nitrophenyl)sulfonylamino]phenyl] butanoate Traditional Name: butyric acid [4-[butyryl-(2-methyl-5-nitro-phenyl)sulfonyl-amino]phenyl] ester Formula: C21H24N2O7S MolecularWeight: 448.48946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O7S/c1-4-6-20(24)22(16-10-12-18(13-11-16)30-21(25)7-5-2)31(28,29)19-14-17(23(26)27)9-8-15(19)3/h8-14H,4-7H2,1-3H3