(2S)-3-methyl-2-[(2-methylphenyl)sulfonylcarbamoyl-(phenylmethyl)amino]-N-oxidanyl-butanamide

Systemtic Name: (2S)-3-methyl-2-[(2-methylphenyl)sulfonylcarbamoyl-(phenylmethyl)amino]-N-oxidanyl-butanamide Openeye Name: 1-benzyl-1-[(1S)-1-(hydroxycarbamoyl)-2-methyl-propyl]-3-(o-tolylsulfonyl)urea CAS Name: (2S)-N-hydroxy-3-methyl-2-[[[(2-methylphenyl)sulfonylamino]-oxomethyl]-(phenylmethyl)amino]butanamide IUPAC Name: (2S)-2-[benzyl-[(2-methylphenyl)sulfonylcarbamoyl]amino]-N-hydroxy-3-methylbutanamide Traditional Name: 1-benzyl-1-[(1S)-1-(hydroxycarbamoyl)-2-methyl-propyl]-3-(o-tolylsulfonyl)urea Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC(=O)N(CC2=CC=CC=C2)C(C(C)C)C(=O)NO

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC(=O)N(CC2=CC=CC=C2)[C@@H](C(C)C)C(=O)NO

InChI

InChI=1S/C20H25N3O5S/c1-14(2)18(19(24)21-26)23(13-16-10-5-4-6-11-16)20(25)22-29(27,28)17-12-8-7-9-15(17)3/h4-12,14,18,26H,13H2,1-3H3,(H,21,24)(H,22,25)/t18-/m0/s1