4-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-3-oxidanylidene-piperazine-1-carboxylic acid

Systemtic Name: 4-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-3-oxidanylidene-piperazine-1-carboxylic acid Openeye Name: 4-[4-[ethyl-[1-methyl-2-(4-methylsulfonylphenyl)ethyl]amino]butyl]-3-oxo-piperazine-1-carboxylic acid CAS Name: 4-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-3-oxo-1-piperazinecarboxylic acid IUPAC Name: 4-[4-[ethyl-[1-(4-methylsulfonylphenyl)propan-2-yl]amino]butyl]-3-oxopiperazine-1-carboxylic acid Traditional Name: 4-[4-[ethyl-[2-(4-mesylphenyl)-1-methyl-ethyl]amino]butyl]-3-keto-piperazine-1-carboxylic acid Formula: C21H33N3O5S MolecularWeight: 439.56882

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCN1CCN(CC1=O)C(=O)O)C(C)CC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCN(CCCCN1CCN(CC1=O)C(=O)O)C(C)CC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C21H33N3O5S/c1-4-22(17(2)15-18-7-9-19(10-8-18)30(3,28)29)11-5-6-12-23-13-14-24(21(26)27)16-20(23)25/h7-10,17H,4-6,11-16H2,1-3H3,(H,26,27)