4-[[4-(4-ethenylphenyl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid

Systemtic Name: 4-[[4-(4-ethenylphenyl)sulfonyl-2-oxidanylidene-piperazin-1-yl]methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-4-[[2-oxo-4-(4-vinylphenyl)sulfonyl-piperazin-1-yl]methyl]piperidine-4-carboxylic acid CAS Name: 4-[[4-(4-ethenylphenyl)sulfonyl-2-oxo-1-piperazinyl]methyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 4-[[4-(4-ethenylphenyl)sulfonyl-2-oxopiperazin-1-yl]methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-4-[[2-keto-4-(4-vinylphenyl)sulfonyl-piperazino]methyl]isonipecotic acid Formula: C24H33N3O7S MolecularWeight: 507.59972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(CN2CCN(CC2=O)S(=O)(=O)C3=CC=C(C=C3)C=C)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(CN2CCN(CC2=O)S(=O)(=O)C3=CC=C(C=C3)C=C)C(=O)O

InChI

InChI=1S/C24H33N3O7S/c1-5-18-6-8-19(9-7-18)35(32,33)27-15-14-26(20(28)16-27)17-24(21(29)30)10-12-25(13-11-24)22(31)34-23(2,3)4/h5-9H,1,10-17H2,2-4H3,(H,29,30)