N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methoxyethylsulfanyl)benzamide

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methoxyethylsulfanyl)benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methoxyethylsulfanyl)benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(2-methoxyethylthio)benzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methoxyethylsulfanyl)benzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(2-methoxyethylthio)benzamide Formula: C22H28N2O4S2 MolecularWeight: 448.59872

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Descriptors Computed from Structure

Canonical SMILES:

COCCSC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COCCSC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H28N2O4S2/c1-28-16-17-29-21-9-5-4-8-20(21)22(25)23-18-10-12-19(13-11-18)30(26,27)24-14-6-2-3-7-15-24/h4-5,8-13H,2-3,6-7,14-17H2,1H3,(H,23,25)