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

Systemtic Name: (phenylmethyl) N-[3-[(4-aminophenyl)sulfonyl-pentan-3-yloxy-amino]-2-oxidanyl-propyl]carbamate Openeye Name: benzyl N-[3-[(4-aminophenyl)sulfonyl-(1-ethylpropoxy)amino]-2-hydroxy-propyl]carbamate CAS Name: N-[3-[(4-aminophenyl)sulfonyl-pentan-3-yloxyamino]-2-hydroxypropyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-[(4-aminophenyl)sulfonyl-pentan-3-yloxyamino]-2-hydroxypropyl]carbamate Traditional Name: N-[3-[1-ethylpropoxy(sulfanilyl)amino]-2-hydroxy-propyl]carbamic acid benzyl ester Formula: C22H31N3O6S MolecularWeight: 465.56304

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O6S/c1-3-20(4-2)31-25(32(28,29)21-12-10-18(23)11-13-21)15-19(26)14-24-22(27)30-16-17-8-6-5-7-9-17/h5-13,19-20,26H,3-4,14-16,23H2,1-2H3,(H,24,27)