ethyl (3Z)-3-[2-[[4-bromanyl-2-(phenylsulfonyl)phenyl]amino]ethanoylhydrazinylidene]butanoate

Systemtic Name: ethyl (3Z)-3-[2-[[4-bromanyl-2-(phenylsulfonyl)phenyl]amino]ethanoylhydrazinylidene]butanoate Openeye Name: ethyl (3Z)-3-[[2-[2-(benzenesulfonyl)-4-bromo-anilino]acetyl]hydrazono]butanoate CAS Name: (3Z)-3-[[2-[2-(benzenesulfonyl)-4-bromoanilino]-1-oxoethyl]hydrazinylidene]butanoic acid ethyl ester IUPAC Name: ethyl (3Z)-3-[[2-[2-(benzenesulfonyl)-4-bromoanilino]acetyl]hydrazinylidene]butanoate Traditional Name: (3Z)-3-[[2-(2-besyl-4-bromo-anilino)acetyl]hydrazono]butyric acid ethyl ester Formula: C20H22BrN3O5S MolecularWeight: 496.37478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=NNC(=O)CNC1=C(C=C(C=C1)Br)S(=O)(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C/C(=N\NC(=O)CNC1=C(C=C(C=C1)Br)S(=O)(=O)C2=CC=CC=C2)/C

InChI

InChI=1S/C20H22BrN3O5S/c1-3-29-20(26)11-14(2)23-24-19(25)13-22-17-10-9-15(21)12-18(17)30(27,28)16-7-5-4-6-8-16/h4-10,12,22H,3,11,13H2,1-2H3,(H,24,25)/b23-14-