3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(5-bromanylthiophen-2-yl)ethyl]propanamide

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(5-bromanylthiophen-2-yl)ethyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(5-bromo-2-thienyl)ethyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[2-(5-bromo-2-thiophenyl)ethyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(5-bromothiophen-2-yl)ethyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(5-bromo-2-thienyl)ethyl]propionamide Formula: C21H27BrN2O3S2 MolecularWeight: 499.48468

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCCC3=CC=C(S3)Br

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCCC3=CC=C(S3)Br

InChI

InChI=1S/C21H27BrN2O3S2/c22-20-11-8-18(28-20)13-14-23-21(25)12-7-17-5-9-19(10-6-17)29(26,27)24-15-3-1-2-4-16-24/h5-6,8-11H,1-4,7,12-16H2,(H,23,25)