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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-thiophen-2-ylethyl)propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(2-thienyl)ethyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-(2-thiophen-2-ylethyl)propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-(2-thiophen-2-ylethyl)propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[2-(2-thienyl)ethyl]propionamide Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCCC3=CC=CS3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)NCCC3=CC=CS3

InChI

InChI=1S/C21H28N2O3S2/c24-21(22-14-13-19-6-5-17-27-19)12-9-18-7-10-20(11-8-18)28(25,26)23-15-3-1-2-4-16-23/h5-8,10-11,17H,1-4,9,12-16H2,(H,22,24)