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

Systemtic Name: methyl 3-[2-[(3-bromophenyl)-methylsulfonyl-amino]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-(3-bromo-N-methylsulfonyl-anilino)acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-(3-bromo-N-methylsulfonylanilino)-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(3-bromo-N-methylsulfonylanilino)acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(3-bromo-N-mesyl-anilino)acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C18H19BrN2O5S MolecularWeight: 455.32286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(C2=CC(=CC=C2)Br)S(=O)(=O)C

InChI

InChI=1S/C18H19BrN2O5S/c1-12-7-8-13(18(23)26-2)9-16(12)20-17(22)11-21(27(3,24)25)15-6-4-5-14(19)10-15/h4-10H,11H2,1-3H3,(H,20,22)