4-[(2-methylpropan-2-yl)oxycarbonyl]-1-quinolin-8-ylsulfonyl-piperazine-2-carboxylic acid

Systemtic Name: 4-[(2-methylpropan-2-yl)oxycarbonyl]-1-quinolin-8-ylsulfonyl-piperazine-2-carboxylic acid Openeye Name: 4-tert-butoxycarbonyl-1-(8-quinolylsulfonyl)piperazine-2-carboxylic acid CAS Name: 4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-(8-quinolinylsulfonyl)-2-piperazinecarboxylic acid IUPAC Name: 4-[(2-methylpropan-2-yl)oxycarbonyl]-1-quinolin-8-ylsulfonylpiperazine-2-carboxylic acid Traditional Name: 4-tert-butoxycarbonyl-1-(8-quinolylsulfonyl)piperazine-2-carboxylic acid Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)O)S(=O)(=O)C2=CC=CC3=C2N=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)O)S(=O)(=O)C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C19H23N3O6S/c1-19(2,3)28-18(25)21-10-11-22(14(12-21)17(23)24)29(26,27)15-8-4-6-13-7-5-9-20-16(13)15/h4-9,14H,10-12H2,1-3H3,(H,23,24)