methyl 4-[2-[(4-bromophenyl)sulfonyl-methyl-amino]ethanoylamino]butanoate

Systemtic Name: methyl 4-[2-[(4-bromophenyl)sulfonyl-methyl-amino]ethanoylamino]butanoate Openeye Name: methyl 4-[[2-[(4-bromophenyl)sulfonyl-methyl-amino]acetyl]amino]butanoate CAS Name: 4-[[2-[(4-bromophenyl)sulfonyl-methylamino]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]butanoate Traditional Name: 4-[[2-[brosyl(methyl)amino]acetyl]amino]butyric acid methyl ester Formula: C14H19BrN2O5S MolecularWeight: 407.28006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NCCCC(=O)OC)S(=O)(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CN(CC(=O)NCCCC(=O)OC)S(=O)(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C14H19BrN2O5S/c1-17(10-13(18)16-9-3-4-14(19)22-2)23(20,21)12-7-5-11(15)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,16,18)