2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-[3-(phenylmethylsulfanyl)propyl]ethanamide

Systemtic Name: 2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]-N-[3-(phenylmethylsulfanyl)propyl]ethanamide Openeye Name: N-(3-benzylsulfanylpropyl)-2-(3,4-dimethyl-N-methylsulfonyl-anilino)acetamide CAS Name: 2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[3-(phenylmethylthio)propyl]acetamide IUPAC Name: N-(3-benzylsulfanylpropyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide Traditional Name: N-[3-(benzylthio)propyl]-2-(N-mesyl-3,4-dimethyl-anilino)acetamide Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3S2/c1-17-10-11-20(14-18(17)2)23(28(3,25)26)15-21(24)22-12-7-13-27-16-19-8-5-4-6-9-19/h4-6,8-11,14H,7,12-13,15-16H2,1-3H3,(H,22,24)