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

Systemtic Name: (phenylmethyl) N-[(2S,3S)-3-methyl-1-[(3-methylsulfonylphenyl)amino]-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: benzyl N-[(1S,2S)-2-methyl-1-[(3-methylsulfonylphenyl)carbamoyl]butyl]carbamate CAS Name: N-[(2S,3S)-3-methyl-1-(3-methylsulfonylanilino)-1-oxopentan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S,3S)-3-methyl-1-(3-methylsulfonylanilino)-1-oxopentan-2-yl]carbamate Traditional Name: N-[(1S,2S)-1-[(3-mesylphenyl)carbamoyl]-2-methyl-butyl]carbamic acid benzyl ester Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5S/c1-4-15(2)19(23-21(25)28-14-16-9-6-5-7-10-16)20(24)22-17-11-8-12-18(13-17)29(3,26)27/h5-13,15,19H,4,14H2,1-3H3,(H,22,24)(H,23,25)/t15-,19-/m0/s1