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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CSC=C1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CN(CC1=CSC=C1)C(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

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