ethyl 4-[2-[(3-bromophenyl)-methylsulfonyl-amino]ethanoylamino]-3-chloranyl-benzoate

Systemtic Name: ethyl 4-[2-[(3-bromophenyl)-methylsulfonyl-amino]ethanoylamino]-3-chloranyl-benzoate Openeye Name: ethyl 4-[[2-(3-bromo-N-methylsulfonyl-anilino)acetyl]amino]-3-chloro-benzoate CAS Name: 4-[[2-(3-bromo-N-methylsulfonylanilino)-1-oxoethyl]amino]-3-chlorobenzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-bromo-N-methylsulfonylanilino)acetyl]amino]-3-chlorobenzoate Traditional Name: 4-[[2-(3-bromo-N-mesyl-anilino)acetyl]amino]-3-chloro-benzoic acid ethyl ester Formula: C18H18BrClN2O5S MolecularWeight: 489.76792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C)Cl

InChI

InChI=1S/C18H18BrClN2O5S/c1-3-27-18(24)12-7-8-16(15(20)9-12)21-17(23)11-22(28(2,25)26)14-6-4-5-13(19)10-14/h4-10H,3,11H2,1-2H3,(H,21,23)