N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[(3,4-dichlorophenyl)methylthio]acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(3,4-dichlorophenyl)methylsulfanyl]acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(3,4-dichlorobenzyl)thio]acetamide Formula: C21H24Cl2N2O3S2 MolecularWeight: 487.46286

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H24Cl2N2O3S2/c22-19-10-5-16(13-20(19)23)14-29-15-21(26)24-17-6-8-18(9-7-17)30(27,28)25-11-3-1-2-4-12-25/h5-10,13H,1-4,11-12,14-15H2,(H,24,26)