2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)ethanamide Openeye Name: 2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-N-(4-morpholinosulfonylphenyl)acetamide CAS Name: 2-[[2-(3-methylanilino)-2-oxoethyl]thio]-N-[4-(4-morpholinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-(4-morpholin-4-ylsulfonylphenyl)acetamide Traditional Name: 2-[[2-keto-2-(m-toluidino)ethyl]thio]-N-(4-morpholinosulfonylphenyl)acetamide Formula: C21H25N3O5S2 MolecularWeight: 463.5703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H25N3O5S2/c1-16-3-2-4-18(13-16)23-21(26)15-30-14-20(25)22-17-5-7-19(8-6-17)31(27,28)24-9-11-29-12-10-24/h2-8,13H,9-12,14-15H2,1H3,(H,22,25)(H,23,26)