N-[2-[2-[4-(phenethylsulfanylmethyl)phenyl]phenyl]ethylsulfonyl]thiophene-2-sulfonamide

Systemtic Name: N-[2-[2-[4-(phenethylsulfanylmethyl)phenyl]phenyl]ethylsulfonyl]thiophene-2-sulfonamide Openeye Name: N-[2-[2-[4-(phenethylsulfanylmethyl)phenyl]phenyl]ethylsulfonyl]thiophene-2-sulfonamide CAS Name: N-[2-[2-[4-[(phenethylthio)methyl]phenyl]phenyl]ethylsulfonyl]-2-thiophenesulfonamide IUPAC Name: N-[2-[2-[4-(phenethylsulfanylmethyl)phenyl]phenyl]ethylsulfonyl]thiophene-2-sulfonamide Traditional Name: N-[2-[2-[4-[(phenethylthio)methyl]phenyl]phenyl]ethylsulfonyl]thiophene-2-sulfonamide Formula: C27H27NO4S4 MolecularWeight: 557.76758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSCC2=CC=C(C=C2)C3=CC=CC=C3CCS(=O)(=O)NS(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CCSCC2=CC=C(C=C2)C3=CC=CC=C3CCS(=O)(=O)NS(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C27H27NO4S4/c29-35(30,28-36(31,32)27-11-6-18-34-27)20-17-24-9-4-5-10-26(24)25-14-12-23(13-15-25)21-33-19-16-22-7-2-1-3-8-22/h1-15,18,28H,16-17,19-21H2