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

Systemtic Name: ethyl 4-[2-[(3-chloranyl-4-ethoxy-phenyl)sulfonyl-methyl-amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(3-chloro-4-ethoxy-phenyl)sulfonyl-methyl-amino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(3-chloro-4-ethoxy-phenyl)sulfonyl-methyl-amino]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H26ClN3O6S MolecularWeight: 447.93354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N(C)CC(=O)N2CCN(CC2)C(=O)OCC)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N(C)CC(=O)N2CCN(CC2)C(=O)OCC)Cl

InChI

InChI=1S/C18H26ClN3O6S/c1-4-27-16-7-6-14(12-15(16)19)29(25,26)20(3)13-17(23)21-8-10-22(11-9-21)18(24)28-5-2/h6-7,12H,4-5,8-11,13H2,1-3H3