(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (5-isopropyl-3-methyl-isoxazol-4-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (3-methyl-5-propan-2-yl-4-isoxazolyl)-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (5-isopropyl-3-methyl-isoxazol-4-yl)-[4-(3-nitrophenyl)sulfonylpiperazino]methanone Formula: C18H22N4O6S MolecularWeight: 422.45548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=NOC(=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-])C(C)C

InChI

InChI=1S/C18H22N4O6S/c1-12(2)17-16(13(3)19-28-17)18(23)20-7-9-21(10-8-20)29(26,27)15-6-4-5-14(11-15)22(24)25/h4-6,11-12H,7-10H2,1-3H3