N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[5-(azepan-1-ylsulfonyl)-2-chloranyl-phenyl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-phenylsulfanyl-acetamide CAS Name: N-[5-(1-azepanylsulfonyl)-2-chlorophenyl]-2-(phenylthio)acetamide IUPAC Name: N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-phenylsulfanylacetamide Traditional Name: N-[5-(azepan-1-ylsulfonyl)-2-chloro-phenyl]-2-(phenylthio)acetamide Formula: C20H23ClN2O3S2 MolecularWeight: 438.99122

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C20H23ClN2O3S2/c21-18-11-10-17(28(25,26)23-12-6-1-2-7-13-23)14-19(18)22-20(24)15-27-16-8-4-3-5-9-16/h3-5,8-11,14H,1-2,6-7,12-13,15H2,(H,22,24)