[4-[butanoyl-(2,4-dimethylphenyl)sulfonyl-amino]naphthalen-1-yl] butanoate

Systemtic Name: [4-[butanoyl-(2,4-dimethylphenyl)sulfonyl-amino]naphthalen-1-yl] butanoate Openeye Name: [4-[butanoyl-(2,4-dimethylphenyl)sulfonyl-amino]-1-naphthyl] butanoate CAS Name: butanoic acid [4-[(2,4-dimethylphenyl)sulfonyl-(1-oxobutyl)amino]-1-naphthalenyl] ester IUPAC Name: [4-[butanoyl-(2,4-dimethylphenyl)sulfonylamino]naphthalen-1-yl] butanoate Traditional Name: butyric acid [4-[butyryl-(2,4-dimethylphenyl)sulfonyl-amino]-1-naphthyl] ester Formula: C26H29NO5S MolecularWeight: 467.57716

Click to see the large picture

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=C(C=C3)C)C

Isomeric SMILES

CCCC(=O)N(C1=CC=C(C2=CC=CC=C21)OC(=O)CCC)S(=O)(=O)C3=C(C=C(C=C3)C)C

InChI

InChI=1S/C26H29NO5S/c1-5-9-25(28)27(33(30,31)24-16-13-18(3)17-19(24)4)22-14-15-23(32-26(29)10-6-2)21-12-8-7-11-20(21)22/h7-8,11-17H,5-6,9-10H2,1-4H3