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

Systemtic Name: ethyl 4-[2-[(4-ethoxy-3-methyl-phenyl)sulfonyl-methyl-amino]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(4-ethoxy-3-methyl-phenyl)sulfonyl-methyl-amino]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(4-ethoxy-3-methylphenyl)sulfonyl-methylamino]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(4-ethoxy-3-methyl-phenyl)sulfonyl-methyl-amino]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H29N3O6S MolecularWeight: 427.51506

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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)C

Isomeric SMILES

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

InChI

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