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

Systemtic Name: N-[(2S)-1-[(3-methylphenyl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-3-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[(1S)-3-methylsulfanyl-1-(m-tolylcarbamoyl)propyl]-3-morpholinosulfonyl-benzamide CAS Name: N-[(2S)-1-(3-methylanilino)-4-(methylthio)-1-oxobutan-2-yl]-3-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[(2S)-1-(3-methylanilino)-4-methylsulfanyl-1-oxobutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[(1S)-3-(methylthio)-1-(m-tolylcarbamoyl)propyl]-3-morpholinosulfonyl-benzamide Formula: C23H29N3O5S2 MolecularWeight: 491.62346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O5S2/c1-17-5-3-7-19(15-17)24-23(28)21(9-14-32-2)25-22(27)18-6-4-8-20(16-18)33(29,30)26-10-12-31-13-11-26/h3-8,15-16,21H,9-14H2,1-2H3,(H,24,28)(H,25,27)/t21-/m0/s1