[4-[butanoyl-(2-methyl-5-nitro-phenyl)sulfonyl-amino]naphthalen-1-yl] butanoate

Systemtic Name: [4-[butanoyl-(2-methyl-5-nitro-phenyl)sulfonyl-amino]naphthalen-1-yl] butanoate Openeye Name: [4-[butanoyl-(2-methyl-5-nitro-phenyl)sulfonyl-amino]-1-naphthyl] butanoate CAS Name: butanoic acid [4-[(2-methyl-5-nitrophenyl)sulfonyl-(1-oxobutyl)amino]-1-naphthalenyl] ester IUPAC Name: [4-[butanoyl-(2-methyl-5-nitrophenyl)sulfonylamino]naphthalen-1-yl] butanoate Traditional Name: butyric acid [4-[butyryl-(2-methyl-5-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=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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