1-(4-methoxyphenyl)sulfonyl-4-piperazin-1-ylcarbonyl-piperidine-2-carboxylic acid

Systemtic Name: 1-(4-methoxyphenyl)sulfonyl-4-piperazin-1-ylcarbonyl-piperidine-2-carboxylic acid Openeye Name: 1-(4-methoxyphenyl)sulfonyl-4-(piperazine-1-carbonyl)piperidine-2-carboxylic acid CAS Name: 1-(4-methoxyphenyl)sulfonyl-4-[oxo(1-piperazinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-(4-methoxyphenyl)sulfonyl-4-(piperazine-1-carbonyl)piperidine-2-carboxylic acid Traditional Name: 1-(4-methoxyphenyl)sulfonyl-4-(piperazine-1-carbonyl)pipecolinic acid Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2C(=O)O)C(=O)N3CCNCC3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2C(=O)O)C(=O)N3CCNCC3

InChI

InChI=1S/C18H25N3O6S/c1-27-14-2-4-15(5-3-14)28(25,26)21-9-6-13(12-16(21)18(23)24)17(22)20-10-7-19-8-11-20/h2-5,13,16,19H,6-12H2,1H3,(H,23,24)