N-[4-(azepan-1-ylsulfonyl)phenyl]-5-bromanyl-2-(2-methylpropoxy)benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-bromanyl-2-(2-methylpropoxy)benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-bromo-2-isobutoxy-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-5-bromo-2-(2-methylpropoxy)benzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-bromo-2-(2-methylpropoxy)benzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-bromo-2-isobutoxy-benzamide Formula: C23H29BrN2O4S MolecularWeight: 509.45636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)Br)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)Br)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C23H29BrN2O4S/c1-17(2)16-30-22-12-7-18(24)15-21(22)23(27)25-19-8-10-20(11-9-19)31(28,29)26-13-5-3-4-6-14-26/h7-12,15,17H,3-6,13-14,16H2,1-2H3,(H,25,27)