N-[4-(2-methylsulfonylphenyl)phenyl]-2-(phenylcarbamoylamino)-3-thiophen-2-yl-propanamide

Systemtic Name: N-[4-(2-methylsulfonylphenyl)phenyl]-2-(phenylcarbamoylamino)-3-thiophen-2-yl-propanamide Openeye Name: N-[4-(2-methylsulfonylphenyl)phenyl]-2-(phenylcarbamoylamino)-3-(2-thienyl)propanamide CAS Name: 2-[[anilino(oxo)methyl]amino]-N-[4-(2-methylsulfonylphenyl)phenyl]-3-thiophen-2-ylpropanamide IUPAC Name: N-[4-(2-methylsulfonylphenyl)phenyl]-2-(phenylcarbamoylamino)-3-thiophen-2-ylpropanamide Traditional Name: N-[4-(2-mesylphenyl)phenyl]-2-(phenylcarbamoylamino)-3-(2-thienyl)propionamide Formula: C27H25N3O4S2 MolecularWeight: 519.6351

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)NC(=O)C(CC3=CC=CS3)NC(=O)NC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC=C(C=C2)NC(=O)C(CC3=CC=CS3)NC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C27H25N3O4S2/c1-36(33,34)25-12-6-5-11-23(25)19-13-15-21(16-14-19)28-26(31)24(18-22-10-7-17-35-22)30-27(32)29-20-8-3-2-4-9-20/h2-17,24H,18H2,1H3,(H,28,31)(H2,29,30,32)