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

Systemtic Name: N-[2-[[3-(azepan-1-ylsulfonyl)phenyl]amino]-2-oxidanylidene-ethyl]-5-bromanyl-furan-2-carboxamide Openeye Name: N-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxo-ethyl]-5-bromo-furan-2-carboxamide CAS Name: N-[2-[3-(1-azepanylsulfonyl)anilino]-2-oxoethyl]-5-bromo-2-furancarboxamide IUPAC Name: N-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl]-5-bromofuran-2-carboxamide Traditional Name: N-[2-[3-(azepan-1-ylsulfonyl)anilino]-2-keto-ethyl]-5-bromo-2-furamide Formula: C19H22BrN3O5S MolecularWeight: 484.36408

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CNC(=O)C3=CC=C(O3)Br

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CNC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C19H22BrN3O5S/c20-17-9-8-16(28-17)19(25)21-13-18(24)22-14-6-5-7-15(12-14)29(26,27)23-10-3-1-2-4-11-23/h5-9,12H,1-4,10-11,13H2,(H,21,25)(H,22,24)