N-[(2S,3R)-5-[2-hydroxyethyl-(4-methylphenyl)sulfonyl-amino]-3-oxidanyl-1-phenyl-pentan-2-yl]-2-methyl-3-oxidanyl-benzamide

Systemtic Name: N-[(2S,3R)-5-[2-hydroxyethyl-(4-methylphenyl)sulfonyl-amino]-3-oxidanyl-1-phenyl-pentan-2-yl]-2-methyl-3-oxidanyl-benzamide Openeye Name: N-[(1S,2R)-1-benzyl-2-hydroxy-4-[2-hydroxyethyl(p-tolylsulfonyl)amino]butyl]-3-hydroxy-2-methyl-benzamide CAS Name: 3-hydroxy-N-[(2S,3R)-3-hydroxy-5-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]-1-phenylpentan-2-yl]-2-methylbenzamide IUPAC Name: 3-hydroxy-N-[(2S,3R)-3-hydroxy-5-[2-hydroxyethyl-(4-methylphenyl)sulfonylamino]-1-phenylpentan-2-yl]-2-methylbenzamide Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-4-[2-hydroxyethyl(tosyl)amino]butyl]-3-hydroxy-2-methyl-benzamide Formula: C28H34N2O6S MolecularWeight: 526.64436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(C(CC2=CC=CC=C2)NC(=O)C3=C(C(=CC=C3)O)C)O)CCO

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC[C@H]([C@H](CC2=CC=CC=C2)NC(=O)C3=C(C(=CC=C3)O)C)O)CCO

InChI

InChI=1S/C28H34N2O6S/c1-20-11-13-23(14-12-20)37(35,36)30(17-18-31)16-15-27(33)25(19-22-7-4-3-5-8-22)29-28(34)24-9-6-10-26(32)21(24)2/h3-14,25,27,31-33H,15-19H2,1-2H3,(H,29,34)/t25-,27+/m0/s1