methyl 2-[(2S)-3-oxidanylidene-1-(4-piperidin-1-ylsulfonylphenyl)carbonyl-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[(2S)-3-oxidanylidene-1-(4-piperidin-1-ylsulfonylphenyl)carbonyl-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[(2S)-3-oxo-1-[4-(1-piperidylsulfonyl)benzoyl]piperazin-2-yl]acetate CAS Name: 2-[(2S)-3-oxo-1-[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S)-3-oxo-1-(4-piperidin-1-ylsulfonylbenzoyl)piperazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-1-(4-piperidinosulfonylbenzoyl)piperazin-2-yl]acetic acid methyl ester Formula: C19H25N3O6S MolecularWeight: 423.4833

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C[C@H]1C(=O)NCCN1C(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C19H25N3O6S/c1-28-17(23)13-16-18(24)20-9-12-22(16)19(25)14-5-7-15(8-6-14)29(26,27)21-10-3-2-4-11-21/h5-8,16H,2-4,9-13H2,1H3,(H,20,24)/t16-/m0/s1