[2-[2-(4-bromophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 4-(azepan-1-ylsulfonyl)benzoate

Systemtic Name: [2-[2-(4-bromophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 4-(azepan-1-ylsulfonyl)benzoate Openeye Name: [2-[2-(4-bromobenzoyl)hydrazino]-2-oxo-ethyl] 4-(azepan-1-ylsulfonyl)benzoate CAS Name: 4-(1-azepanylsulfonyl)benzoic acid [2-[[(4-bromophenyl)-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-(azepan-1-ylsulfonyl)benzoate Traditional Name: 4-(azepan-1-ylsulfonyl)benzoic acid [2-[N'-(4-bromobenzoyl)hydrazino]-2-keto-ethyl] ester Formula: C22H24BrN3O6S MolecularWeight: 538.41146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NNC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)NNC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H24BrN3O6S/c23-18-9-5-16(6-10-18)21(28)25-24-20(27)15-32-22(29)17-7-11-19(12-8-17)33(30,31)26-13-3-1-2-4-14-26/h5-12H,1-4,13-15H2,(H,24,27)(H,25,28)