(phenylmethyl) 2-[(2-methylpropan-2-yl)oxymethyl]-4-(4-nitrophenyl)sulfonyl-piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[(2-methylpropan-2-yl)oxymethyl]-4-(4-nitrophenyl)sulfonyl-piperazine-1-carboxylate Openeye Name: benzyl 2-(tert-butoxymethyl)-4-(4-nitrophenyl)sulfonyl-piperazine-1-carboxylate CAS Name: 2-[(2-methylpropan-2-yl)oxymethyl]-4-(4-nitrophenyl)sulfonyl-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(2-methylpropan-2-yl)oxymethyl]-4-(4-nitrophenyl)sulfonylpiperazine-1-carboxylate Traditional Name: 2-(tert-butoxymethyl)-4-nosyl-piperazine-1-carboxylic acid benzyl ester Formula: C23H29N3O7S MolecularWeight: 491.55726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OCC1CN(CCN1C(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OCC1CN(CCN1C(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H29N3O7S/c1-23(2,3)33-17-20-15-24(34(30,31)21-11-9-19(10-12-21)26(28)29)13-14-25(20)22(27)32-16-18-7-5-4-6-8-18/h4-12,20H,13-17H2,1-3H3