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

Systemtic Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-ethylsulfanyl-benzamide Openeye Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-ethylsulfanyl-benzamide CAS Name: N-[4-(1-azepanylsulfonyl)phenyl]-2-(ethylthio)benzamide IUPAC Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-ethylsulfanylbenzamide Traditional Name: N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(ethylthio)benzamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C21H26N2O3S2/c1-2-27-20-10-6-5-9-19(20)21(24)22-17-11-13-18(14-12-17)28(25,26)23-15-7-3-4-8-16-23/h5-6,9-14H,2-4,7-8,15-16H2,1H3,(H,22,24)