[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(2-nitrophenyl)methanone

Systemtic Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(2-nitrophenyl)methanone Openeye Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(2-nitrophenyl)methanone CAS Name: [4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-(2-nitrophenyl)methanone IUPAC Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(2-nitrophenyl)methanone Traditional Name: [4-(4-tert-butylphenyl)sulfonylpiperazino]-(2-nitrophenyl)methanone Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5S/c1-21(2,3)16-8-10-17(11-9-16)30(28,29)23-14-12-22(13-15-23)20(25)18-6-4-5-7-19(18)24(26)27/h4-11H,12-15H2,1-3H3