ethyl 4-[2-[(3-chloranyl-4-ethoxy-phenyl)sulfonyl-ethyl-amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(3-chloranyl-4-ethoxy-phenyl)sulfonyl-ethyl-amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(3-chloro-4-ethoxy-phenyl)sulfonyl-ethyl-amino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(3-chloro-4-ethoxy-phenyl)sulfonyl-ethyl-amino]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H28ClN3O6S MolecularWeight: 461.96012

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)N1CCN(CC1)C(=O)OCC)S(=O)(=O)C2=CC(=C(C=C2)OCC)Cl

Isomeric SMILES

CCN(CC(=O)N1CCN(CC1)C(=O)OCC)S(=O)(=O)C2=CC(=C(C=C2)OCC)Cl

InChI

InChI=1S/C19H28ClN3O6S/c1-4-23(30(26,27)15-7-8-17(28-5-2)16(20)13-15)14-18(24)21-9-11-22(12-10-21)19(25)29-6-3/h7-8,13H,4-6,9-12,14H2,1-3H3