3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-bromophenyl)propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-bromophenyl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-bromophenyl)propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(2-bromophenyl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-bromophenyl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-bromophenyl)propionamide Formula: C21H25BrN2O3S MolecularWeight: 465.4038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=CC=CC=C3Br

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NC3=CC=CC=C3Br

InChI

InChI=1S/C21H25BrN2O3S/c22-19-7-3-4-8-20(19)23-21(25)14-11-17-9-12-18(13-10-17)28(26,27)24-15-5-1-2-6-16-24/h3-4,7-10,12-13H,1-2,5-6,11,14-16H2,(H,23,25)