1-[(3R,4R)-1-isocyano-3,4-bis(phenylmethoxy)cyclopentyl]sulfonyl-4-methyl-benzene

Systemtic Name: 1-[(3R,4R)-1-isocyano-3,4-bis(phenylmethoxy)cyclopentyl]sulfonyl-4-methyl-benzene Openeye Name: 1-[(3R,4R)-3,4-dibenzyloxy-1-isocyano-cyclopentyl]sulfonyl-4-methyl-benzene CAS Name: 1-[(3R,4R)-1-isocyano-3,4-bis(phenylmethoxy)cyclopentyl]sulfonyl-4-methylbenzene IUPAC Name: 1-[(3R,4R)-1-isocyano-3,4-bis(phenylmethoxy)cyclopentyl]sulfonyl-4-methylbenzene Traditional Name: 1-[(3R,4R)-3,4-dibenzoxy-1-isocyano-cyclopentyl]sulfonyl-4-methyl-benzene Formula: C27H27NO4S MolecularWeight: 461.57258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2(CC(C(C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)[N+]#[C-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2(C[C@H]([C@@H](C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)[N+]#[C-]

InChI

InChI=1S/C27H27NO4S/c1-21-13-15-24(16-14-21)33(29,30)27(28-2)17-25(31-19-22-9-5-3-6-10-22)26(18-27)32-20-23-11-7-4-8-12-23/h3-16,25-26H,17-20H2,1H3/t25-,26-/m1/s1