1-(4-azanylpent-2-ynoxy)-4-ethanoyl-3-methyl-2-(phenylsulfonyl)piperazine-2-carboxylic acid

Systemtic Name: 1-(4-azanylpent-2-ynoxy)-4-ethanoyl-3-methyl-2-(phenylsulfonyl)piperazine-2-carboxylic acid Openeye Name: 4-acetyl-1-(4-aminopent-2-ynoxy)-2-(benzenesulfonyl)-3-methyl-piperazine-2-carboxylic acid CAS Name: 4-acetyl-1-(4-aminopent-2-ynoxy)-2-(benzenesulfonyl)-3-methyl-2-piperazinecarboxylic acid IUPAC Name: 4-acetyl-1-(4-aminopent-2-ynoxy)-2-(benzenesulfonyl)-3-methylpiperazine-2-carboxylic acid Traditional Name: 4-acetyl-1-(4-aminopent-2-ynoxy)-2-besyl-3-methyl-piperazine-2-carboxylic acid Formula: C19H25N3O6S MolecularWeight: 423.4833

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N(CCN1C(=O)C)OCC#CC(C)N)(C(=O)O)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC1C(N(CCN1C(=O)C)OCC#CC(C)N)(C(=O)O)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H25N3O6S/c1-14(20)8-7-13-28-22-12-11-21(16(3)23)15(2)19(22,18(24)25)29(26,27)17-9-5-4-6-10-17/h4-6,9-10,14-15H,11-13,20H2,1-3H3,(H,24,25)