[4-[butanoyl-(3-nitrophenyl)sulfonyl-amino]-2-chloranyl-phenyl] butanoate

Systemtic Name: [4-[butanoyl-(3-nitrophenyl)sulfonyl-amino]-2-chloranyl-phenyl] butanoate Openeye Name: [4-[butanoyl-(3-nitrophenyl)sulfonyl-amino]-2-chloro-phenyl] butanoate CAS Name: butanoic acid [2-chloro-4-[(3-nitrophenyl)sulfonyl-(1-oxobutyl)amino]phenyl] ester IUPAC Name: [4-[butanoyl-(3-nitrophenyl)sulfonylamino]-2-chlorophenyl] butanoate Traditional Name: butyric acid [4-[butyryl-(3-nitrophenyl)sulfonyl-amino]-2-chloro-phenyl] ester Formula: C20H21ClN2O7S MolecularWeight: 468.90794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O7S/c1-3-6-19(24)22(31(28,29)16-9-5-8-15(12-16)23(26)27)14-10-11-18(17(21)13-14)30-20(25)7-4-2/h5,8-13H,3-4,6-7H2,1-2H3