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

Systemtic Name: [(Z)-[azanyl-(3-methoxyphenyl)methylidene]amino] 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: [(Z)-[amino-(3-methoxyphenyl)methylene]amino] 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid [(Z)-[amino-(3-methoxyphenyl)methylidene]amino] ester IUPAC Name: [(Z)-[amino-(3-methoxyphenyl)methylidene]amino] 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid [(Z)-[amino-(3-methoxyphenyl)methylene]amino] ester Formula: C20H23N3O5S MolecularWeight: 417.47872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=NOC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)N

Isomeric SMILES

COC1=CC=CC(=C1)/C(=N/OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)/N

InChI

InChI=1S/C20H23N3O5S/c1-27-17-7-5-6-16(14-17)19(21)22-28-20(24)15-10-12-23(13-11-15)29(25,26)18-8-3-2-4-9-18/h2-9,14-15H,10-13H2,1H3,(H2,21,22)