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

Systemtic Name: ethyl 4-[4-methyl-3-(2-methylpropylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[3-(isobutylcarbamoyl)-4-methyl-phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-methyl-3-[(2-methylpropylamino)-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-methyl-3-(2-methylpropylcarbamoyl)phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[3-(isobutylcarbamoyl)-4-methyl-phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C19H29N3O5S MolecularWeight: 411.51566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O5S/c1-5-27-19(24)21-8-10-22(11-9-21)28(25,26)16-7-6-15(4)17(12-16)18(23)20-13-14(2)3/h6-7,12,14H,5,8-11,13H2,1-4H3,(H,20,23)