[(Z)-[azanyl(thiophen-2-yl)methylidene]amino] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [(Z)-[azanyl(thiophen-2-yl)methylidene]amino] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [(Z)-[amino(2-thienyl)methylene]amino] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [(Z)-[amino(thiophen-2-yl)methylidene]amino] ester IUPAC Name: [(Z)-[amino(thiophen-2-yl)methylidene]amino] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [(Z)-[amino(2-thienyl)methylene]amino] ester Formula: C12H17N3O4S2 MolecularWeight: 331.41108

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)ON=C(C2=CC=CS2)N

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)O/N=C(/C2=CC=CS2)\N

InChI

InChI=1S/C12H17N3O4S2/c1-21(17,18)15-6-4-9(5-7-15)12(16)19-14-11(13)10-3-2-8-20-10/h2-3,8-9H,4-7H2,1H3,(H2,13,14)