3-(azepan-1-ylsulfonyl)-4-bromanyl-N-(3-hydroxyphenyl)benzamide

Systemtic Name: 3-(azepan-1-ylsulfonyl)-4-bromanyl-N-(3-hydroxyphenyl)benzamide Openeye Name: 3-(azepan-1-ylsulfonyl)-4-bromo-N-(3-hydroxyphenyl)benzamide CAS Name: 3-(1-azepanylsulfonyl)-4-bromo-N-(3-hydroxyphenyl)benzamide IUPAC Name: 3-(azepan-1-ylsulfonyl)-4-bromo-N-(3-hydroxyphenyl)benzamide Traditional Name: 3-(azepan-1-ylsulfonyl)-4-bromo-N-(3-hydroxyphenyl)benzamide Formula: C19H21BrN2O4S MolecularWeight: 453.35004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC(=CC=C3)O)Br

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC(=CC=C3)O)Br

InChI

InChI=1S/C19H21BrN2O4S/c20-17-9-8-14(19(24)21-15-6-5-7-16(23)13-15)12-18(17)27(25,26)22-10-3-1-2-4-11-22/h5-9,12-13,23H,1-4,10-11H2,(H,21,24)