N-[1-[2-methylsulfanyl-3,4-bis(phenylsulfonyl)phenyl]-3-oxidanylidene-propyl]methanamide

Systemtic Name: N-[1-[2-methylsulfanyl-3,4-bis(phenylsulfonyl)phenyl]-3-oxidanylidene-propyl]methanamide Openeye Name: N-[1-[3,4-bis(benzenesulfonyl)-2-methylsulfanyl-phenyl]-3-oxo-propyl]formamide CAS Name: N-[1-[3,4-bis(benzenesulfonyl)-2-(methylthio)phenyl]-3-oxopropyl]formamide IUPAC Name: N-[1-[3,4-bis(benzenesulfonyl)-2-methylsulfanylphenyl]-3-oxopropyl]formamide Traditional Name: N-[1-[3,4-dibesyl-2-(methylthio)phenyl]-3-keto-propyl]formamide Formula: C23H21NO6S3 MolecularWeight: 503.61094

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=C1S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)C(CC=O)NC=O

Isomeric SMILES

CSC1=C(C=CC(=C1S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)C(CC=O)NC=O

InChI

InChI=1S/C23H21NO6S3/c1-31-22-19(20(14-15-25)24-16-26)12-13-21(32(27,28)17-8-4-2-5-9-17)23(22)33(29,30)18-10-6-3-7-11-18/h2-13,15-16,20H,14H2,1H3,(H,24,26)