4-(4-methylphenyl)sulfonyl-2-(3-nitrophenyl)-5-piperidin-1-yl-1,3-oxazole

Systemtic Name: 4-(4-methylphenyl)sulfonyl-2-(3-nitrophenyl)-5-piperidin-1-yl-1,3-oxazole Openeye Name: 2-(3-nitrophenyl)-5-(1-piperidyl)-4-(p-tolylsulfonyl)oxazole CAS Name: 4-(4-methylphenyl)sulfonyl-2-(3-nitrophenyl)-5-(1-piperidinyl)oxazole IUPAC Name: 4-(4-methylphenyl)sulfonyl-2-(3-nitrophenyl)-5-piperidin-1-yl-1,3-oxazole Traditional Name: 2-(3-nitrophenyl)-5-piperidino-4-tosyl-oxazole Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC(=CC=C3)[N+](=O)[O-])N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC(=CC=C3)[N+](=O)[O-])N4CCCCC4

InChI

InChI=1S/C21H21N3O5S/c1-15-8-10-18(11-9-15)30(27,28)20-21(23-12-3-2-4-13-23)29-19(22-20)16-6-5-7-17(14-16)24(25)26/h5-11,14H,2-4,12-13H2,1H3