[4-[butanoyl-(4-methyl-3-nitro-phenyl)sulfonyl-amino]naphthalen-1-yl] butanoate

Systemtic Name: [4-[butanoyl-(4-methyl-3-nitro-phenyl)sulfonyl-amino]naphthalen-1-yl] butanoate Openeye Name: [4-[butanoyl-(4-methyl-3-nitro-phenyl)sulfonyl-amino]-1-naphthyl] butanoate CAS Name: butanoic acid [4-[(4-methyl-3-nitrophenyl)sulfonyl-(1-oxobutyl)amino]-1-naphthalenyl] ester IUPAC Name: [4-[butanoyl-(4-methyl-3-nitrophenyl)sulfonylamino]naphthalen-1-yl] butanoate Traditional Name: butyric acid [4-[butyryl-(4-methyl-3-nitro-phenyl)sulfonyl-amino]-1-naphthyl] ester Formula: C25H26N2O7S MolecularWeight: 498.54814

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(C1=CC=C(C2=CC=CC=C21)OC(=O)CCC)S(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)N(C1=CC=C(C2=CC=CC=C21)OC(=O)CCC)S(=O)(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C25H26N2O7S/c1-4-8-24(28)26(35(32,33)18-13-12-17(3)22(16-18)27(30)31)21-14-15-23(34-25(29)9-5-2)20-11-7-6-10-19(20)21/h6-7,10-16H,4-5,8-9H2,1-3H3