2-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide

Systemtic Name: 2-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide Openeye Name: 2-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)-N-[2-(m-tolylmethylsulfanyl)ethyl]propanamide CAS Name: 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[2-[(3-methylphenyl)methylthio]ethyl]propanamide IUPAC Name: 2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]propanamide Traditional Name: 2-(3-chloro-N-mesyl-4-methoxy-anilino)-N-[2-[(3-methylbenzyl)thio]ethyl]propionamide Formula: C21H27ClN2O4S2 MolecularWeight: 471.03308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCCNC(=O)C(C)N(C2=CC(=C(C=C2)OC)Cl)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CSCCNC(=O)C(C)N(C2=CC(=C(C=C2)OC)Cl)S(=O)(=O)C

InChI

InChI=1S/C21H27ClN2O4S2/c1-15-6-5-7-17(12-15)14-29-11-10-23-21(25)16(2)24(30(4,26)27)18-8-9-20(28-3)19(22)13-18/h5-9,12-13,16H,10-11,14H2,1-4H3,(H,23,25)