(phenylmethyl) N-[4-[3-methylsulfanylpropyl(phenylsulfonyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[4-[3-methylsulfanylpropyl(phenylsulfonyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: benzyl N-[3-[benzenesulfonyl(3-methylsulfanylpropyl)amino]-1-benzyl-2-hydroxy-propyl]carbamate CAS Name: N-[4-[benzenesulfonyl-[3-(methylthio)propyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[4-[benzenesulfonyl(3-methylsulfanylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate Traditional Name: N-[1-benzyl-3-[besyl-[3-(methylthio)propyl]amino]-2-hydroxy-propyl]carbamic acid benzyl ester Formula: C28H34N2O5S2 MolecularWeight: 542.70996

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCN(CC(C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CSCCCN(CC(C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C28H34N2O5S2/c1-36-19-11-18-30(37(33,34)25-16-9-4-10-17-25)21-27(31)26(20-23-12-5-2-6-13-23)29-28(32)35-22-24-14-7-3-8-15-24/h2-10,12-17,26-27,31H,11,18-22H2,1H3,(H,29,32)