N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-bromanyl-benzamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-bromanyl-benzamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-bromo-benzamide CAS Name: N-[3-(1-azepanylsulfonyl)-4-methylphenyl]-2-bromobenzamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-bromobenzamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-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=CC=C2Br)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2Br)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C20H23BrN2O3S/c1-15-10-11-16(22-20(24)17-8-4-5-9-18(17)21)14-19(15)27(25,26)23-12-6-2-3-7-13-23/h4-5,8-11,14H,2-3,6-7,12-13H2,1H3,(H,22,24)