1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-methylsulfanylphenyl)prop-2-en-1-one

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-methylsulfanylphenyl)prop-2-en-1-one Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-methylsulfanylphenyl)prop-2-en-1-one CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-3-[4-(methylthio)phenyl]-2-propen-1-one IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-(4-methylsulfanylphenyl)prop-2-en-1-one Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-[4-(methylthio)phenyl]prop-2-en-1-one Formula: C22H25NO3S2 MolecularWeight: 415.5688

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

CSC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H25NO3S2/c1-27-20-11-6-18(7-12-20)8-15-22(24)19-9-13-21(14-10-19)28(25,26)23-16-4-2-3-5-17-23/h6-15H,2-5,16-17H2,1H3