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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-bromanyl-2-propoxy-benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-bromo-2-propoxy-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-5-bromo-2-propoxybenzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-bromo-2-propoxybenzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-5-bromo-2-propoxy-benzamide Formula: C22H27BrN2O4S MolecularWeight: 495.42978

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H27BrN2O4S/c1-2-15-29-21-12-7-17(23)16-20(21)22(26)24-18-8-10-19(11-9-18)30(27,28)25-13-5-3-4-6-14-25/h7-12,16H,2-6,13-15H2,1H3,(H,24,26)