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

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-bromanyl-furan-2-carboxamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-bromo-furan-2-carboxamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-5-bromo-2-furancarboxamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-5-bromofuran-2-carboxamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-5-bromo-2-furamide Formula: C18H21BrN2O4S MolecularWeight: 441.33934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21BrN2O4S/c1-13-6-7-14(20-18(22)15-8-9-17(19)25-15)12-16(13)26(23,24)21-10-4-2-3-5-11-21/h6-9,12H,2-5,10-11H2,1H3,(H,20,22)