(3-methyl-5-oxidanylidene-pent-4-enyl) 2-aminocarbonyl-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]oxirane-2-carboxylate

Systemtic Name: (3-methyl-5-oxidanylidene-pent-4-enyl) 2-aminocarbonyl-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]oxirane-2-carboxylate Openeye Name: (3-methyl-5-oxo-pent-4-enyl) 2-carbamoyl-3-[4-(p-tolylsulfonyl)piperazin-1-yl]oxirane-2-carboxylate CAS Name: 2-carbamoyl-3-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxiranecarboxylic acid (3-methyl-5-oxopent-4-enyl) ester IUPAC Name: (3-methyl-5-oxopent-4-enyl) 2-carbamoyl-3-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]oxirane-2-carboxylate Traditional Name: 2-carbamoyl-3-(4-tosylpiperazino)oxirane-2-carboxylic acid (5-keto-3-methyl-pent-4-enyl) ester Formula: C21H27N3O7S MolecularWeight: 465.51998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3C(O3)(C(=O)N)C(=O)OCCC(C)C=C=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3C(O3)(C(=O)N)C(=O)OCCC(C)C=C=O

InChI

InChI=1S/C21H27N3O7S/c1-15-3-5-17(6-4-15)32(28,29)24-11-9-23(10-12-24)19-21(31-19,18(22)26)20(27)30-14-8-16(2)7-13-25/h3-7,16,19H,8-12,14H2,1-2H3,(H2,22,26)