(4-nitrophenyl)methyl 4-[(2-tert-butylsulfanylphenyl)methyl]piperazine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-[(2-tert-butylsulfanylphenyl)methyl]piperazine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-[(2-tert-butylsulfanylphenyl)methyl]piperazine-1-carboxylate CAS Name: 4-[[2-(tert-butylthio)phenyl]methyl]-1-piperazinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-[(2-tert-butylsulfanylphenyl)methyl]piperazine-1-carboxylate Traditional Name: 4-[2-(tert-butylthio)benzyl]piperazine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C23H29N3O4S MolecularWeight: 443.55906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=CC=CC=C1CN2CCN(CC2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)SC1=CC=CC=C1CN2CCN(CC2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H29N3O4S/c1-23(2,3)31-21-7-5-4-6-19(21)16-24-12-14-25(15-13-24)22(27)30-17-18-8-10-20(11-9-18)26(28)29/h4-11H,12-17H2,1-3H3