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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(SC=C1)CNC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H28N2O3S2/c1-17-12-15-27-20(17)16-22-21(24)11-8-18-6-9-19(10-7-18)28(25,26)23-13-4-2-3-5-14-23/h6-7,9-10,12,15H,2-5,8,11,13-14,16H2,1H3,(H,22,24)