(phenylmethyl) N-[3-[(4-hydroxyphenyl)sulfonyl-pentan-3-yloxy-amino]-2-oxidanyl-propyl]carbamate

Systemtic Name: (phenylmethyl) N-[3-[(4-hydroxyphenyl)sulfonyl-pentan-3-yloxy-amino]-2-oxidanyl-propyl]carbamate Openeye Name: benzyl N-[3-[1-ethylpropoxy-(4-hydroxyphenyl)sulfonyl-amino]-2-hydroxy-propyl]carbamate CAS Name: N-[2-hydroxy-3-[(4-hydroxyphenyl)sulfonyl-pentan-3-yloxyamino]propyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-hydroxy-3-[(4-hydroxyphenyl)sulfonyl-pentan-3-yloxyamino]propyl]carbamate Traditional Name: N-[3-[1-ethylpropoxy-(4-hydroxyphenyl)sulfonyl-amino]-2-hydroxy-propyl]carbamic acid benzyl ester Formula: C22H30N2O7S MolecularWeight: 466.5478

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)ON(CC(CNC(=O)OCC1=CC=CC=C1)O)S(=O)(=O)C2=CC=C(C=C2)O

Isomeric SMILES

CCC(CC)ON(CC(CNC(=O)OCC1=CC=CC=C1)O)S(=O)(=O)C2=CC=C(C=C2)O

InChI

InChI=1S/C22H30N2O7S/c1-3-20(4-2)31-24(32(28,29)21-12-10-18(25)11-13-21)15-19(26)14-23-22(27)30-16-17-8-6-5-7-9-17/h5-13,19-20,25-26H,3-4,14-16H2,1-2H3,(H,23,27)