5-(2-methylphenyl)-2-[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-1,3-benzoxazole

Systemtic Name: 5-(2-methylphenyl)-2-[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-1,3-benzoxazole Openeye Name: 2-[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-5-(o-tolyl)-1,3-benzoxazole CAS Name: 5-(2-methylphenyl)-2-[1-(4-nitrophenyl)sulfonyl-2-pyrrolidinyl]-1,3-benzoxazole IUPAC Name: 5-(2-methylphenyl)-2-[1-(4-nitrophenyl)sulfonylpyrrolidin-2-yl]-1,3-benzoxazole Traditional Name: 2-(1-nosylpyrrolidin-2-yl)-5-(o-tolyl)-1,3-benzoxazole Formula: C24H21N3O5S MolecularWeight: 463.50564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC3=C(C=C2)OC(=N3)C4CCCN4S(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C2=CC3=C(C=C2)OC(=N3)C4CCCN4S(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H21N3O5S/c1-16-5-2-3-6-20(16)17-8-13-23-21(15-17)25-24(32-23)22-7-4-14-26(22)33(30,31)19-11-9-18(10-12-19)27(28)29/h2-3,5-6,8-13,15,22H,4,7,14H2,1H3