2-[(4-methylphenyl)sulfonyl-phenyl-amino]-N-[3-(phenylmethylsulfanyl)propyl]ethanamide

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-phenyl-amino]-N-[3-(phenylmethylsulfanyl)propyl]ethanamide Openeye Name: N-(3-benzylsulfanylpropyl)-2-[N-(p-tolylsulfonyl)anilino]acetamide CAS Name: 2-(N-(4-methylphenyl)sulfonylanilino)-N-[3-(phenylmethylthio)propyl]acetamide IUPAC Name: N-(3-benzylsulfanylpropyl)-2-(N-(4-methylphenyl)sulfonylanilino)acetamide Traditional Name: N-[3-(benzylthio)propyl]-2-(N-tosylanilino)acetamide Formula: C25H28N2O3S2 MolecularWeight: 468.63142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCCSCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NCCCSCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H28N2O3S2/c1-21-13-15-24(16-14-21)32(29,30)27(23-11-6-3-7-12-23)19-25(28)26-17-8-18-31-20-22-9-4-2-5-10-22/h2-7,9-16H,8,17-20H2,1H3,(H,26,28)