2-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]-N-(2-phenylsulfanylethyl)ethanamide

Systemtic Name: 2-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]-N-(2-phenylsulfanylethyl)ethanamide Openeye Name: 2-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)-N-(2-phenylsulfanylethyl)acetamide CAS Name: 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[2-(phenylthio)ethyl]acetamide IUPAC Name: 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-phenylsulfanylethyl)acetamide Traditional Name: 2-(3-chloro-N-mesyl-4-methoxy-anilino)-N-[2-(phenylthio)ethyl]acetamide Formula: C18H21ClN2O4S2 MolecularWeight: 428.95334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CC(=O)NCCSC2=CC=CC=C2)S(=O)(=O)C)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N(CC(=O)NCCSC2=CC=CC=C2)S(=O)(=O)C)Cl

InChI

InChI=1S/C18H21ClN2O4S2/c1-25-17-9-8-14(12-16(17)19)21(27(2,23)24)13-18(22)20-10-11-26-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)