3-methylsulfonylsulfanyl-N-pyren-1-yl-propanamide

Systemtic Name: 3-methylsulfonylsulfanyl-N-pyren-1-yl-propanamide Openeye Name: 3-methylsulfonylsulfanyl-N-pyren-1-yl-propanamide CAS Name: 3-(methylsulfonylthio)-N-(1-pyrenyl)propanamide IUPAC Name: 3-methylsulfonylsulfanyl-N-pyren-1-ylpropanamide Traditional Name: 3-(mesylthio)-N-pyren-1-yl-propionamide Formula: C20H17NO3S2 MolecularWeight: 383.48388

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)SCCC(=O)NC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

Isomeric SMILES

CS(=O)(=O)SCCC(=O)NC1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

InChI

InChI=1S/C20H17NO3S2/c1-26(23,24)25-12-11-18(22)21-17-10-8-15-6-5-13-3-2-4-14-7-9-16(17)20(15)19(13)14/h2-10H,11-12H2,1H3,(H,21,22)