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

Systemtic Name: [4-[butanoyl-(4-methoxy-3-nitro-phenyl)sulfonyl-amino]naphthalen-1-yl] butanoate Openeye Name: [4-[butanoyl-(4-methoxy-3-nitro-phenyl)sulfonyl-amino]-1-naphthyl] butanoate CAS Name: butanoic acid [4-[(4-methoxy-3-nitrophenyl)sulfonyl-(1-oxobutyl)amino]-1-naphthalenyl] ester IUPAC Name: [4-[butanoyl-(4-methoxy-3-nitrophenyl)sulfonylamino]naphthalen-1-yl] butanoate Traditional Name: butyric acid [4-[butyryl-(4-methoxy-3-nitro-phenyl)sulfonyl-amino]-1-naphthyl] ester Formula: C25H26N2O8S MolecularWeight: 514.54754

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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)OC)[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)OC)[N+](=O)[O-]

InChI

InChI=1S/C25H26N2O8S/c1-4-8-24(28)26(36(32,33)17-12-14-23(34-3)21(16-17)27(30)31)20-13-15-22(35-25(29)9-5-2)19-11-7-6-10-18(19)20/h6-7,10-16H,4-5,8-9H2,1-3H3