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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CS1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(CC1=CC=CS1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

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