N-[4-[3-[(4-butylsulfanylphenyl)amino]propanoyl]phenyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[4-[3-[(4-butylsulfanylphenyl)amino]propanoyl]phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[4-[3-(4-butylsulfanylanilino)propanoyl]phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[4-[3-[4-(butylthio)anilino]-1-oxopropyl]phenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[4-[3-(4-butylsulfanylanilino)propanoyl]phenyl]-4-methylbenzenesulfonamide Traditional Name: N-[4-[3-[4-(butylthio)anilino]propanoyl]phenyl]-4-methyl-benzenesulfonamide Formula: C26H30N2O3S2 MolecularWeight: 482.658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)NCCC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCSC1=CC=C(C=C1)NCCC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C26H30N2O3S2/c1-3-4-19-32-24-13-11-22(12-14-24)27-18-17-26(29)21-7-9-23(10-8-21)28-33(30,31)25-15-5-20(2)6-16-25/h5-16,27-28H,3-4,17-19H2,1-2H3