2-[(4-methoxyphenyl)-methylsulfonyl-amino]-N-[2-(phenylmethylsulfanyl)ethyl]propanamide

Systemtic Name: 2-[(4-methoxyphenyl)-methylsulfonyl-amino]-N-[2-(phenylmethylsulfanyl)ethyl]propanamide Openeye Name: N-(2-benzylsulfanylethyl)-2-(4-methoxy-N-methylsulfonyl-anilino)propanamide CAS Name: 2-(4-methoxy-N-methylsulfonylanilino)-N-[2-(phenylmethylthio)ethyl]propanamide IUPAC Name: N-(2-benzylsulfanylethyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide Traditional Name: N-[2-(benzylthio)ethyl]-2-(N-mesyl-4-methoxy-anilino)propionamide Formula: C20H26N2O4S2 MolecularWeight: 422.56144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCSCC1=CC=CC=C1)N(C2=CC=C(C=C2)OC)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)NCCSCC1=CC=CC=C1)N(C2=CC=C(C=C2)OC)S(=O)(=O)C

InChI

InChI=1S/C20H26N2O4S2/c1-16(20(23)21-13-14-27-15-17-7-5-4-6-8-17)22(28(3,24)25)18-9-11-19(26-2)12-10-18/h4-12,16H,13-15H2,1-3H3,(H,21,23)