ethyl 4-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3-(isopropylcarbamoyl)-4-methyl-phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-methyl-3-[oxo-(propan-2-ylamino)methyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[3-(isopropylcarbamoyl)-4-methyl-phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NC(C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)C)C(=O)NC(C)C

InChI

InChI=1S/C18H27N3O5S/c1-5-26-18(23)20-8-10-21(11-9-20)27(24,25)15-7-6-14(4)16(12-15)17(22)19-13(2)3/h6-7,12-13H,5,8-11H2,1-4H3,(H,19,22)