[4-(4-nitrophenyl)piperazin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone

Systemtic Name: [4-(4-nitrophenyl)piperazin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone Openeye Name: (4-isopropylsulfonylphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [4-(4-nitrophenyl)-1-piperazinyl]-(4-propan-2-ylsulfonylphenyl)methanone IUPAC Name: [4-(4-nitrophenyl)piperazin-1-yl]-(4-propan-2-ylsulfonylphenyl)methanone Traditional Name: (4-isopropylsulfonylphenyl)-[4-(4-nitrophenyl)piperazino]methanone Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O5S/c1-15(2)29(27,28)19-9-3-16(4-10-19)20(24)22-13-11-21(12-14-22)17-5-7-18(8-6-17)23(25)26/h3-10,15H,11-14H2,1-2H3