1-but-2-ynoxy-2-(phenylsulfonyl)-4-pyrrolidin-1-ylcarbonyl-piperazine-2-carboxylic acid

Systemtic Name: 1-but-2-ynoxy-2-(phenylsulfonyl)-4-pyrrolidin-1-ylcarbonyl-piperazine-2-carboxylic acid Openeye Name: 2-(benzenesulfonyl)-1-but-2-ynoxy-4-(pyrrolidine-1-carbonyl)piperazine-2-carboxylic acid CAS Name: 2-(benzenesulfonyl)-1-but-2-ynoxy-4-[oxo(1-pyrrolidinyl)methyl]-2-piperazinecarboxylic acid IUPAC Name: 2-(benzenesulfonyl)-1-but-2-ynoxy-4-(pyrrolidine-1-carbonyl)piperazine-2-carboxylic acid Traditional Name: 2-besyl-1-but-2-ynoxy-4-(pyrrolidine-1-carbonyl)piperazine-2-carboxylic acid Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCON1CCN(CC1(C(=O)O)S(=O)(=O)C2=CC=CC=C2)C(=O)N3CCCC3

Isomeric SMILES

CC#CCON1CCN(CC1(C(=O)O)S(=O)(=O)C2=CC=CC=C2)C(=O)N3CCCC3

InChI

InChI=1S/C20H25N3O6S/c1-2-3-15-29-23-14-13-22(19(26)21-11-7-8-12-21)16-20(23,18(24)25)30(27,28)17-9-5-4-6-10-17/h4-6,9-10H,7-8,11-16H2,1H3,(H,24,25)