(phenylmethyl) N-[3-methylsulfonyl-1-oxidanylidene-1-[(2-oxidanyl-4-phenyl-butyl)amino]propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[3-methylsulfonyl-1-oxidanylidene-1-[(2-oxidanyl-4-phenyl-butyl)amino]propan-2-yl]carbamate Openeye Name: benzyl N-[2-[(2-hydroxy-4-phenyl-butyl)amino]-1-(methylsulfonylmethyl)-2-oxo-ethyl]carbamate CAS Name: N-[1-[(2-hydroxy-4-phenylbutyl)amino]-3-methylsulfonyl-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[(2-hydroxy-4-phenylbutyl)amino]-3-methylsulfonyl-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-[(2-hydroxy-4-phenyl-butyl)amino]-2-keto-1-(mesylmethyl)ethyl]carbamic acid benzyl ester Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC(C(=O)NCC(CCC1=CC=CC=C1)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)CC(C(=O)NCC(CCC1=CC=CC=C1)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O6S/c1-31(28,29)16-20(24-22(27)30-15-18-10-6-3-7-11-18)21(26)23-14-19(25)13-12-17-8-4-2-5-9-17/h2-11,19-20,25H,12-16H2,1H3,(H,23,26)(H,24,27)