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

Systemtic Name: (4-tert-butylphenyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-tert-butylphenyl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[4-(3-nitrophenyl)sulfonylpiperazino]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=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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