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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-benzylsulfanyl-acetamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(phenylmethylthio)acetamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-benzylsulfanylacetamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(benzylthio)acetamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S2/c24-21(17-27-16-18-8-4-3-5-9-18)22-19-10-12-20(13-11-19)28(25,26)23-14-6-1-2-7-15-23/h3-5,8-13H,1-2,6-7,14-17H2,(H,22,24)