N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-chlorophenyl)methylsulfanyl]ethanamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-chlorophenyl)methylsulfanyl]ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-chlorophenyl)methylsulfanyl]acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-[(4-chlorophenyl)methylthio]acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-chlorophenyl)methylsulfanyl]acetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[(4-chlorobenzyl)thio]acetamide Formula: C21H25ClN2O3S2 MolecularWeight: 453.0178

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O3S2/c22-18-7-5-17(6-8-18)15-28-16-21(25)23-19-9-11-20(12-10-19)29(26,27)24-13-3-1-2-4-14-24/h5-12H,1-4,13-16H2,(H,23,25)