[(Z)-[azanyl(pyridin-3-yl)methylidene]amino] 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: [(Z)-[azanyl(pyridin-3-yl)methylidene]amino] 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: [(Z)-[amino(3-pyridyl)methylene]amino] 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid [(Z)-[amino(3-pyridinyl)methylidene]amino] ester IUPAC Name: [(Z)-[amino(pyridin-3-yl)methylidene]amino] 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid [(Z)-[amino(3-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=CN=CC=C2)N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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