4-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1-(phenylmethyl)piperidin-4-yl]sulfonylpiperazine-1-carboxylic acid

Systemtic Name: 4-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1-(phenylmethyl)piperidin-4-yl]sulfonylpiperazine-1-carboxylic acid Openeye Name: 4-[(1-benzyl-4-tert-butoxycarbonyl-4-piperidyl)sulfonyl]piperazine-1-carboxylic acid CAS Name: 4-[[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-(phenylmethyl)-4-piperidinyl]sulfonyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]sulfonylpiperazine-1-carboxylic acid Traditional Name: 4-[(1-benzyl-4-tert-butoxycarbonyl-4-piperidyl)sulfonyl]piperazine-1-carboxylic acid Formula: C22H33N3O6S MolecularWeight: 467.57892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1(CCN(CC1)CC2=CC=CC=C2)S(=O)(=O)N3CCN(CC3)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)C1(CCN(CC1)CC2=CC=CC=C2)S(=O)(=O)N3CCN(CC3)C(=O)O

InChI

InChI=1S/C22H33N3O6S/c1-21(2,3)31-19(26)22(32(29,30)25-15-13-24(14-16-25)20(27)28)9-11-23(12-10-22)17-18-7-5-4-6-8-18/h4-8H,9-17H2,1-3H3,(H,27,28)