(2-aminocarbonyl-3-butyl-3-methyl-oxiran-2-yl)carbonyl 4-(4-methylphenyl)sulfonylpiperazine-1-carboxylate

Systemtic Name: (2-aminocarbonyl-3-butyl-3-methyl-oxiran-2-yl)carbonyl 4-(4-methylphenyl)sulfonylpiperazine-1-carboxylate Openeye Name: (3-butyl-2-carbamoyl-3-methyl-oxirane-2-carbonyl) 4-(p-tolylsulfonyl)piperazine-1-carboxylate CAS Name: 4-(4-methylphenyl)sulfonyl-1-piperazinecarboxylic acid [(3-butyl-2-carbamoyl-3-methyl-2-oxiranyl)-oxomethyl] ester IUPAC Name: (3-butyl-2-carbamoyl-3-methyloxirane-2-carbonyl) 4-(4-methylphenyl)sulfonylpiperazine-1-carboxylate Traditional Name: 4-tosylpiperazine-1-carboxylic acid (3-butyl-2-carbamoyl-3-methyl-oxirane-2-carbonyl) ester Formula: C21H29N3O7S MolecularWeight: 467.53586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C(O1)(C(=O)N)C(=O)OC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)C

Isomeric SMILES

CCCCC1(C(O1)(C(=O)N)C(=O)OC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)C

InChI

InChI=1S/C21H29N3O7S/c1-4-5-10-20(3)21(31-20,17(22)25)18(26)30-19(27)23-11-13-24(14-12-23)32(28,29)16-8-6-15(2)7-9-16/h6-9H,4-5,10-14H2,1-3H3,(H2,22,25)