N-[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]-5-bromanyl-furan-2-carboxamide

Systemtic Name: N-[2-[[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]-5-bromanyl-furan-2-carboxamide Openeye Name: N-[2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-oxo-ethyl]-5-bromo-furan-2-carboxamide CAS Name: N-[2-[3-(1-azepanylsulfonyl)-4-methylanilino]-2-oxoethyl]-5-bromo-2-furancarboxamide IUPAC Name: N-[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl]-5-bromofuran-2-carboxamide Traditional Name: N-[2-[3-(azepan-1-ylsulfonyl)-4-methyl-anilino]-2-keto-ethyl]-5-bromo-2-furamide Formula: C20H24BrN3O5S MolecularWeight: 498.39066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2=CC=C(O2)Br)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CNC(=O)C2=CC=C(O2)Br)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H24BrN3O5S/c1-14-6-7-15(12-17(14)30(27,28)24-10-4-2-3-5-11-24)23-19(25)13-22-20(26)16-8-9-18(21)29-16/h6-9,12H,2-5,10-11,13H2,1H3,(H,22,26)(H,23,25)