5-(2-methylphenyl)-2-[1-(phenylmethyl)sulfonylpyrrolidin-2-yl]-1,3-benzoxazole

Systemtic Name: 5-(2-methylphenyl)-2-[1-(phenylmethyl)sulfonylpyrrolidin-2-yl]-1,3-benzoxazole Openeye Name: 2-(1-benzylsulfonylpyrrolidin-2-yl)-5-(o-tolyl)-1,3-benzoxazole CAS Name: 5-(2-methylphenyl)-2-[1-(phenylmethyl)sulfonyl-2-pyrrolidinyl]-1,3-benzoxazole IUPAC Name: 2-(1-benzylsulfonylpyrrolidin-2-yl)-5-(2-methylphenyl)-1,3-benzoxazole Traditional Name: 2-(1-benzylsulfonylpyrrolidin-2-yl)-5-(o-tolyl)-1,3-benzoxazole Formula: C25H24N2O3S MolecularWeight: 432.53466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC3=C(C=C2)OC(=N3)C4CCCN4S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1C2=CC3=C(C=C2)OC(=N3)C4CCCN4S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C25H24N2O3S/c1-18-8-5-6-11-21(18)20-13-14-24-22(16-20)26-25(30-24)23-12-7-15-27(23)31(28,29)17-19-9-3-2-4-10-19/h2-6,8-11,13-14,16,23H,7,12,15,17H2,1H3