ethyl 4-[2-[(4-ethoxyphenyl)sulfonyl-ethyl-amino]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(4-ethoxyphenyl)sulfonyl-ethyl-amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(4-ethoxyphenyl)sulfonyl-ethyl-amino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-ethoxyphenyl)sulfonyl-ethylamino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[ethyl(p-phenetylsulfonyl)amino]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H29N3O6S MolecularWeight: 427.51506

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O6S/c1-4-22(29(25,26)17-9-7-16(8-10-17)27-5-2)15-18(23)20-11-13-21(14-12-20)19(24)28-6-3/h7-10H,4-6,11-15H2,1-3H3