ethyl 4-(2-ethoxy-4-methyl-5-propan-2-yl-phenyl)sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-(2-ethoxy-4-methyl-5-propan-2-yl-phenyl)sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(2-ethoxy-5-isopropyl-4-methyl-phenyl)sulfonylpiperazine-1-carboxylate CAS Name: 4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonylpiperazine-1-carboxylate Traditional Name: 4-(2-ethoxy-5-isopropyl-4-methyl-phenyl)sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C19H30N2O5S MolecularWeight: 398.5169

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O5S/c1-6-25-17-12-15(5)16(14(3)4)13-18(17)27(23,24)21-10-8-20(9-11-21)19(22)26-7-2/h12-14H,6-11H2,1-5H3