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

Systemtic Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(5-ethylthiophen-2-yl)methyl]propanamide Openeye Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(5-ethyl-2-thienyl)methyl]propanamide CAS Name: 3-[4-(1-azepanylsulfonyl)phenyl]-N-[(5-ethyl-2-thiophenyl)methyl]propanamide IUPAC Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(5-ethylthiophen-2-yl)methyl]propanamide Traditional Name: 3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(5-ethyl-2-thienyl)methyl]propionamide Formula: C22H30N2O3S2 MolecularWeight: 434.6152

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCC1=CC=C(S1)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H30N2O3S2/c1-2-19-10-11-20(28-19)17-23-22(25)14-9-18-7-12-21(13-8-18)29(26,27)24-15-5-3-4-6-16-24/h7-8,10-13H,2-6,9,14-17H2,1H3,(H,23,25)