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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-propylsulfanyl-benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-propylsulfanyl-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(propylthio)benzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-propylsulfanylbenzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(propylthio)benzamide Formula: C22H28N2O3S2 MolecularWeight: 432.59932

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCCSC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H28N2O3S2/c1-2-17-28-21-10-6-5-9-20(21)22(25)23-18-11-13-19(14-12-18)29(26,27)24-15-7-3-4-8-16-24/h5-6,9-14H,2-4,7-8,15-17H2,1H3,(H,23,25)