(phenylmethyl) N-[(2S)-3-methyl-1-[(3-methylsulfonylphenyl)amino]-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-3-methyl-1-[(3-methylsulfonylphenyl)amino]-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-2-methyl-1-[(3-methylsulfonylphenyl)carbamoyl]propyl]carbamate CAS Name: N-[(2S)-3-methyl-1-(3-methylsulfonylanilino)-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-3-methyl-1-(3-methylsulfonylanilino)-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[(3-mesylphenyl)carbamoyl]-2-methyl-propyl]carbamic acid benzyl ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC(=CC=C1)S(=O)(=O)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H24N2O5S/c1-14(2)18(22-20(24)27-13-15-8-5-4-6-9-15)19(23)21-16-10-7-11-17(12-16)28(3,25)26/h4-12,14,18H,13H2,1-3H3,(H,21,23)(H,22,24)/t18-/m0/s1