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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-bromanyl-4-butoxy-benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-bromo-4-butoxy-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-3-bromo-4-butoxybenzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-bromo-4-butoxybenzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-3-bromo-4-butoxy-benzamide Formula: C23H29BrN2O4S MolecularWeight: 509.45636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)Br

InChI

InChI=1S/C23H29BrN2O4S/c1-2-3-16-30-22-13-8-18(17-21(22)24)23(27)25-19-9-11-20(12-10-19)31(28,29)26-14-6-4-5-7-15-26/h8-13,17H,2-7,14-16H2,1H3,(H,25,27)