N-(2-methylsulfonylsulfanylethyl)-4-pyren-1-yl-butanamide

Systemtic Name: N-(2-methylsulfonylsulfanylethyl)-4-pyren-1-yl-butanamide Openeye Name: N-(2-methylsulfonylsulfanylethyl)-4-pyren-1-yl-butanamide CAS Name: N-[2-(methylsulfonylthio)ethyl]-4-(1-pyrenyl)butanamide IUPAC Name: N-(2-methylsulfonylsulfanylethyl)-4-pyren-1-ylbutanamide Traditional Name: N-[2-(mesylthio)ethyl]-4-pyren-1-yl-butyramide Formula: C23H23NO3S2 MolecularWeight: 425.56362

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)SCCNC(=O)CCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

Isomeric SMILES

CS(=O)(=O)SCCNC(=O)CCCC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

InChI

InChI=1S/C23H23NO3S2/c1-29(26,27)28-15-14-24-21(25)7-3-4-16-8-9-19-11-10-17-5-2-6-18-12-13-20(16)23(19)22(17)18/h2,5-6,8-13H,3-4,7,14-15H2,1H3,(H,24,25)