(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (2S)-1-(phenylsulfonyl)piperidine-2-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl (2S)-1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2S)-1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: (2S)-1-(benzenesulfonyl)-2-piperidinecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl (2S)-1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: (2S)-1-besylpipecolinic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C20H20N4O5S MolecularWeight: 428.4616

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN([C@@H](C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H20N4O5S/c25-19-16-10-4-5-11-17(16)21-22-23(19)14-29-20(26)18-12-6-7-13-24(18)30(27,28)15-8-2-1-3-9-15/h1-5,8-11,18H,6-7,12-14H2/t18-/m0/s1