[(Z)-[azanyl(pyridin-4-yl)methylidene]amino] 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: [(Z)-[azanyl(pyridin-4-yl)methylidene]amino] 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: [(Z)-[amino(4-pyridyl)methylene]amino] 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid [(Z)-[amino(pyridin-4-yl)methylidene]amino] ester IUPAC Name: [(Z)-[amino(pyridin-4-yl)methylidene]amino] 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid [(Z)-[amino(4-pyridyl)methylene]amino] ester Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)ON=C(C2=CC=NC=C2)N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)O/N=C(/C2=CC=NC=C2)\N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H20N4O4S/c19-17(14-6-10-20-11-7-14)21-26-18(23)15-8-12-22(13-9-15)27(24,25)16-4-2-1-3-5-16/h1-7,10-11,15H,8-9,12-13H2,(H2,19,21)