[2-bromanyl-4-[butanoyl(phenylsulfonyl)amino]naphthalen-1-yl] butanoate

Systemtic Name: [2-bromanyl-4-[butanoyl(phenylsulfonyl)amino]naphthalen-1-yl] butanoate Openeye Name: [4-[benzenesulfonyl(butanoyl)amino]-2-bromo-1-naphthyl] butanoate CAS Name: butanoic acid [4-[benzenesulfonyl(1-oxobutyl)amino]-2-bromo-1-naphthalenyl] ester IUPAC Name: [4-[benzenesulfonyl(butanoyl)amino]-2-bromonaphthalen-1-yl] butanoate Traditional Name: butyric acid [4-[besyl(butyryl)amino]-2-bromo-1-naphthyl] ester Formula: C24H24BrNO5S MolecularWeight: 518.42006

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)Br)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C24H24BrNO5S/c1-3-10-22(27)26(32(29,30)17-12-6-5-7-13-17)21-16-20(25)24(31-23(28)11-4-2)19-15-9-8-14-18(19)21/h5-9,12-16H,3-4,10-11H2,1-2H3