(2S)-4-methylsulfanyl-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]-N-(phenylmethyl)butanamide

Systemtic Name: (2S)-4-methylsulfanyl-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]-N-(phenylmethyl)butanamide Openeye Name: (2S)-N-benzyl-4-methylsulfanyl-2-(4-morpholinosulfonyl-2-nitro-anilino)butanamide CAS Name: (2S)-4-(methylthio)-2-[4-(4-morpholinylsulfonyl)-2-nitroanilino]-N-(phenylmethyl)butanamide IUPAC Name: (2S)-N-benzyl-4-methylsulfanyl-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)butanamide Traditional Name: (2S)-N-benzyl-4-(methylthio)-2-(4-morpholinosulfonyl-2-nitro-anilino)butyramide Formula: C22H28N4O6S2 MolecularWeight: 508.61092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CSCC[C@@H](C(=O)NCC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O6S2/c1-33-14-9-20(22(27)23-16-17-5-3-2-4-6-17)24-19-8-7-18(15-21(19)26(28)29)34(30,31)25-10-12-32-13-11-25/h2-8,15,20,24H,9-14,16H2,1H3,(H,23,27)/t20-/m0/s1