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

Systemtic Name: (phenylmethyl) N-[3-[(4-nitrophenyl)sulfonyl-pentan-3-yloxy-amino]-2-oxidanyl-propyl]carbamate Openeye Name: benzyl N-[3-[1-ethylpropoxy-(4-nitrophenyl)sulfonyl-amino]-2-hydroxy-propyl]carbamate CAS Name: N-[2-hydroxy-3-[(4-nitrophenyl)sulfonyl-pentan-3-yloxyamino]propyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[2-hydroxy-3-[(4-nitrophenyl)sulfonyl-pentan-3-yloxyamino]propyl]carbamate Traditional Name: N-[3-[1-ethylpropoxy(nosyl)amino]-2-hydroxy-propyl]carbamic acid benzyl ester Formula: C22H29N3O8S MolecularWeight: 495.54596

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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)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)ON(CC(CNC(=O)OCC1=CC=CC=C1)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H29N3O8S/c1-3-20(4-2)33-24(34(30,31)21-12-10-18(11-13-21)25(28)29)15-19(26)14-23-22(27)32-16-17-8-6-5-7-9-17/h5-13,19-20,26H,3-4,14-16H2,1-2H3,(H,23,27)