[4-[butanoyl-(2,4,6-trimethylphenyl)sulfonyl-amino]naphthalen-1-yl] butanoate

Systemtic Name: [4-[butanoyl-(2,4,6-trimethylphenyl)sulfonyl-amino]naphthalen-1-yl] butanoate Openeye Name: [4-[butanoyl-(2,4,6-trimethylphenyl)sulfonyl-amino]-1-naphthyl] butanoate CAS Name: butanoic acid [4-[1-oxobutyl-(2,4,6-trimethylphenyl)sulfonylamino]-1-naphthalenyl] ester IUPAC Name: [4-[butanoyl-(2,4,6-trimethylphenyl)sulfonylamino]naphthalen-1-yl] butanoate Traditional Name: butyric acid [4-[butyryl(mesitylsulfonyl)amino]-1-naphthyl] ester Formula: C27H31NO5S MolecularWeight: 481.60374

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=C3C)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=C3C)C)C

InChI

InChI=1S/C27H31NO5S/c1-6-10-25(29)28(34(31,32)27-19(4)16-18(3)17-20(27)5)23-14-15-24(33-26(30)11-7-2)22-13-9-8-12-21(22)23/h8-9,12-17H,6-7,10-11H2,1-5H3