N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-bromanyl-benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-bromanyl-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-bromo-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-4-bromobenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-4-bromobenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-4-bromo-benzamide Formula: C20H23BrN2O3S MolecularWeight: 451.37722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O3S/c1-15-6-11-18(22-20(24)16-7-9-17(21)10-8-16)14-19(15)27(25,26)23-12-4-2-3-5-13-23/h6-11,14H,2-5,12-13H2,1H3,(H,22,24)