2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide

Systemtic Name: 2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)ethanamide Openeye Name: 2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide CAS Name: 2-[[2-(3-methylanilino)-2-oxoethyl]thio]-N-[4-(1-pyrrolidinylsulfonyl)phenyl]acetamide IUPAC Name: 2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide Traditional Name: 2-[[2-keto-2-(m-toluidino)ethyl]thio]-N-(4-pyrrolidinosulfonylphenyl)acetamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H25N3O4S2/c1-16-5-4-6-18(13-16)23-21(26)15-29-14-20(25)22-17-7-9-19(10-8-17)30(27,28)24-11-2-3-12-24/h4-10,13H,2-3,11-12,14-15H2,1H3,(H,22,25)(H,23,26)