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

Systemtic Name: (2S)-N-[(4-methylphenyl)methyl]-4-methylsulfanyl-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]butanamide Openeye Name: (2S)-4-methylsulfanyl-2-(4-morpholinosulfonyl-2-nitro-anilino)-N-(p-tolylmethyl)butanamide CAS Name: (2S)-N-[(4-methylphenyl)methyl]-4-(methylthio)-2-[4-(4-morpholinylsulfonyl)-2-nitroanilino]butanamide IUPAC Name: (2S)-N-[(4-methylphenyl)methyl]-4-methylsulfanyl-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)butanamide Traditional Name: (2S)-N-(4-methylbenzyl)-4-(methylthio)-2-(4-morpholinosulfonyl-2-nitro-anilino)butyramide Formula: C23H30N4O6S2 MolecularWeight: 522.6375

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(CCSC)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H](CCSC)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H30N4O6S2/c1-17-3-5-18(6-4-17)16-24-23(28)21(9-14-34-2)25-20-8-7-19(15-22(20)27(29)30)35(31,32)26-10-12-33-13-11-26/h3-8,15,21,25H,9-14,16H2,1-2H3,(H,24,28)/t21-/m0/s1