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

Systemtic Name: 4-ethanoyl-1-[4-[4-[ethyl(methyl)amino]pent-2-ynoxy]phenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid Openeye Name: 4-acetyl-1-[4-[4-[ethyl(methyl)amino]pent-2-ynoxy]phenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid CAS Name: 4-acetyl-1-[4-[4-[ethyl(methyl)amino]pent-2-ynoxy]phenyl]sulfonyl-3-methyl-2-piperazinecarboxylic acid IUPAC Name: 4-acetyl-1-[4-[4-[ethyl(methyl)amino]pent-2-ynoxy]phenyl]sulfonyl-3-methylpiperazine-2-carboxylic acid Traditional Name: 4-acetyl-1-[4-[4-[ethyl(methyl)amino]pent-2-ynoxy]phenyl]sulfonyl-3-methyl-piperazine-2-carboxylic acid Formula: C22H31N3O6S MolecularWeight: 465.56304

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)C(C)C#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(C(C2C(=O)O)C)C(=O)C

Isomeric SMILES

CCN(C)C(C)C#CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(C(C2C(=O)O)C)C(=O)C

InChI

InChI=1S/C22H31N3O6S/c1-6-23(5)16(2)8-7-15-31-19-9-11-20(12-10-19)32(29,30)25-14-13-24(18(4)26)17(3)21(25)22(27)28/h9-12,16-17,21H,6,13-15H2,1-5H3,(H,27,28)