2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-(3-phenylsulfanylpropyl)ethanamide

Systemtic Name: 2-[(2,5-dimethylphenyl)-methylsulfonyl-amino]-N-(3-phenylsulfanylpropyl)ethanamide Openeye Name: 2-(2,5-dimethyl-N-methylsulfonyl-anilino)-N-(3-phenylsulfanylpropyl)acetamide CAS Name: 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[3-(phenylthio)propyl]acetamide IUPAC Name: 2-(2,5-dimethyl-N-methylsulfonylanilino)-N-(3-phenylsulfanylpropyl)acetamide Traditional Name: 2-(N-mesyl-2,5-dimethyl-anilino)-N-[3-(phenylthio)propyl]acetamide Formula: C20H26N2O3S2 MolecularWeight: 406.56204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N(CC(=O)NCCCSC2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N(CC(=O)NCCCSC2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C20H26N2O3S2/c1-16-10-11-17(2)19(14-16)22(27(3,24)25)15-20(23)21-12-7-13-26-18-8-5-4-6-9-18/h4-6,8-11,14H,7,12-13,15H2,1-3H3,(H,21,23)