[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(3-nitrophenyl)methanone

Systemtic Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(3-nitrophenyl)methanone Openeye Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(3-nitrophenyl)methanone CAS Name: [4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-(3-nitrophenyl)methanone IUPAC Name: [4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-(3-nitrophenyl)methanone Traditional Name: [4-(4-tert-butylphenyl)sulfonylpiperazino]-(3-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)17-7-9-19(10-8-17)30(28,29)23-13-11-22(12-14-23)20(25)16-5-4-6-18(15-16)24(26)27/h4-10,15H,11-14H2,1-3H3