[2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl] 3-azanylpyrazine-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-piperidin-1-ylsulfonylphenyl)amino]ethyl] 3-azanylpyrazine-2-carboxylate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylanilino)ethyl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [2-keto-2-(4-piperidinosulfonylanilino)ethyl] ester Formula: C18H21N5O5S MolecularWeight: 419.45484

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=NC=CN=C3N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=NC=CN=C3N

InChI

InChI=1S/C18H21N5O5S/c19-17-16(20-8-9-21-17)18(25)28-12-15(24)22-13-4-6-14(7-5-13)29(26,27)23-10-2-1-3-11-23/h4-9H,1-3,10-12H2,(H2,19,21)(H,22,24)