1-[(4-tert-butylphenyl)methyl]-4-[(2-nitrophenyl)methylsulfonyl]piperazine

Systemtic Name: 1-[(4-tert-butylphenyl)methyl]-4-[(2-nitrophenyl)methylsulfonyl]piperazine Openeye Name: 1-[(4-tert-butylphenyl)methyl]-4-[(2-nitrophenyl)methylsulfonyl]piperazine CAS Name: 1-[(4-tert-butylphenyl)methyl]-4-[(2-nitrophenyl)methylsulfonyl]piperazine IUPAC Name: 1-[(4-tert-butylphenyl)methyl]-4-[(2-nitrophenyl)methylsulfonyl]piperazine Traditional Name: 1-(4-tert-butylbenzyl)-4-(2-nitrobenzyl)sulfonyl-piperazine Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H29N3O4S/c1-22(2,3)20-10-8-18(9-11-20)16-23-12-14-24(15-13-23)30(28,29)17-19-6-4-5-7-21(19)25(26)27/h4-11H,12-17H2,1-3H3