1-[4-[4-[ethyl(methyl)amino]pent-2-ynoxy]phenyl]sulfonyl-3-methyl-5-oxidanylidene-piperazine-2-carboxylic acid

Systemtic Name: 1-[4-[4-[ethyl(methyl)amino]pent-2-ynoxy]phenyl]sulfonyl-3-methyl-5-oxidanylidene-piperazine-2-carboxylic acid Openeye Name: 1-[4-[4-[ethyl(methyl)amino]pent-2-ynoxy]phenyl]sulfonyl-3-methyl-5-oxo-piperazine-2-carboxylic acid CAS Name: 1-[4-[4-[ethyl(methyl)amino]pent-2-ynoxy]phenyl]sulfonyl-3-methyl-5-oxo-2-piperazinecarboxylic acid IUPAC Name: 1-[4-[4-[ethyl(methyl)amino]pent-2-ynoxy]phenyl]sulfonyl-3-methyl-5-oxopiperazine-2-carboxylic acid Traditional Name: 1-[4-[4-[ethyl(methyl)amino]pent-2-ynoxy]phenyl]sulfonyl-5-keto-3-methyl-piperazine-2-carboxylic acid Formula: C20H27N3O6S MolecularWeight: 437.50988

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)C(C)C#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(=O)NC(C2C(=O)O)C

Isomeric SMILES

CCN(C)C(C)C#CCOC1=CC=C(C=C1)S(=O)(=O)N2CC(=O)NC(C2C(=O)O)C

InChI

InChI=1S/C20H27N3O6S/c1-5-22(4)14(2)7-6-12-29-16-8-10-17(11-9-16)30(27,28)23-13-18(24)21-15(3)19(23)20(25)26/h8-11,14-15,19H,5,12-13H2,1-4H3,(H,21,24)(H,25,26)