[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]-(5-nitrofuran-2-yl)methanone

Systemtic Name: [4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]-(5-nitrofuran-2-yl)methanone Openeye Name: [4-(4-isobutylphenyl)sulfonylpiperazin-1-yl]-(5-nitro-2-furyl)methanone CAS Name: [4-[4-(2-methylpropyl)phenyl]sulfonyl-1-piperazinyl]-(5-nitro-2-furanyl)methanone IUPAC Name: [4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]-(5-nitrofuran-2-yl)methanone Traditional Name: [4-(4-isobutylphenyl)sulfonylpiperazino]-(5-nitro-2-furyl)methanone Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C19H23N3O6S/c1-14(2)13-15-3-5-16(6-4-15)29(26,27)21-11-9-20(10-12-21)19(23)17-7-8-18(28-17)22(24)25/h3-8,14H,9-13H2,1-2H3