N-methyl-3-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide

Systemtic Name: N-methyl-3-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide Openeye Name: N-methyl-3-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide CAS Name: N-methyl-3-[[2-(4-methylanilino)-2-oxoethyl]thio]-N-[1-(4-sulfamoylphenyl)ethyl]propanamide IUPAC Name: N-methyl-3-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide Traditional Name: 3-[[2-keto-2-(p-toluidino)ethyl]thio]-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]propionamide Formula: C21H27N3O4S2 MolecularWeight: 449.58678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSCCC(=O)N(C)C(C)C2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSCCC(=O)N(C)C(C)C2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C21H27N3O4S2/c1-15-4-8-18(9-5-15)23-20(25)14-29-13-12-21(26)24(3)16(2)17-6-10-19(11-7-17)30(22,27)28/h4-11,16H,12-14H2,1-3H3,(H,23,25)(H2,22,27,28)