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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-bromanyl-2-ethoxy-benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-bromo-2-ethoxy-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-5-bromo-2-ethoxybenzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-bromo-2-ethoxybenzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-bromo-2-ethoxy-benzamide Formula: C21H25BrN2O4S MolecularWeight: 481.4032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H25BrN2O4S/c1-2-28-20-12-7-16(22)15-19(20)21(25)23-17-8-10-18(11-9-17)29(26,27)24-13-5-3-4-6-14-24/h7-12,15H,2-6,13-14H2,1H3,(H,23,25)