[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(5-nitrofuran-2-yl)methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O6S/c1-3-14(2)15-4-6-16(7-5-15)29(26,27)21-12-10-20(11-13-21)19(23)17-8-9-18(28-17)22(24)25/h4-9,14H,3,10-13H2,1-2H3