[2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate

Systemtic Name: [2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate Openeye Name: [2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] (1S,2S)-2-methylcyclopropanecarboxylate CAS Name: (1S,2S)-2-methyl-1-cyclopropanecarboxylic acid [2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-methylcyclopropanecarboxylic acid [2-[4-(4-tert-butylphenyl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC1C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

C[C@H]1C[C@@H]1C(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H30N2O5S/c1-15-13-18(15)20(25)28-14-19(24)22-9-11-23(12-10-22)29(26,27)17-7-5-16(6-8-17)21(2,3)4/h5-8,15,18H,9-14H2,1-4H3/t15-,18-/m0/s1