2-chloranyl-N-[(2S)-1-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 2-chloranyl-N-[(2S)-1-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-chloro-N-[(1S)-1-[(4-methyl-3-morpholinosulfonyl-phenyl)carbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: 2-chloro-N-[(2S)-1-[4-methyl-3-(4-morpholinylsulfonyl)anilino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 2-chloro-N-[(2S)-1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 2-chloro-N-[(1S)-1-[(4-methyl-3-morpholinosulfonyl-phenyl)carbamoyl]-3-(methylthio)propyl]benzamide Formula: C23H28ClN3O5S2 MolecularWeight: 526.06852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](CCSC)NC(=O)C2=CC=CC=C2Cl)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C23H28ClN3O5S2/c1-16-7-8-17(15-21(16)34(30,31)27-10-12-32-13-11-27)25-23(29)20(9-14-33-2)26-22(28)18-5-3-4-6-19(18)24/h3-8,15,20H,9-14H2,1-2H3,(H,25,29)(H,26,28)/t20-/m0/s1