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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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