5-bromanyl-N-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[2-oxo-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethyl]furan-2-carboxamide CAS Name: 5-bromo-N-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[2-keto-2-(4-tosyl-1,4-diazepan-1-yl)ethyl]-2-furamide Formula: C19H22BrN3O5S MolecularWeight: 484.36408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CNC(=O)C3=CC=C(O3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)CNC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C19H22BrN3O5S/c1-14-3-5-15(6-4-14)29(26,27)23-10-2-9-22(11-12-23)18(24)13-21-19(25)16-7-8-17(20)28-16/h3-8H,2,9-13H2,1H3,(H,21,25)