[4-[butanoyl-(3-nitrophenyl)sulfonyl-amino]phenyl] butanoate

Systemtic Name: [4-[butanoyl-(3-nitrophenyl)sulfonyl-amino]phenyl] butanoate Openeye Name: [4-[butanoyl-(3-nitrophenyl)sulfonyl-amino]phenyl] butanoate CAS Name: butanoic acid [4-[(3-nitrophenyl)sulfonyl-(1-oxobutyl)amino]phenyl] ester IUPAC Name: [4-[butanoyl-(3-nitrophenyl)sulfonylamino]phenyl] butanoate Traditional Name: butyric acid [4-[butyryl-(3-nitrophenyl)sulfonyl-amino]phenyl] ester Formula: C20H22N2O7S MolecularWeight: 434.46288

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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=CC=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O7S/c1-3-6-19(23)21(15-10-12-17(13-11-15)29-20(24)7-4-2)30(27,28)18-9-5-8-16(14-18)22(25)26/h5,8-14H,3-4,6-7H2,1-2H3