[(Z)-[azanyl(pyridin-4-yl)methylidene]amino] 1-(4-methylphenyl)sulfonyl-5-oxidanylidene-pyrrolidine-2-carboxylate

Systemtic Name: [(Z)-[azanyl(pyridin-4-yl)methylidene]amino] 1-(4-methylphenyl)sulfonyl-5-oxidanylidene-pyrrolidine-2-carboxylate Openeye Name: [(Z)-[amino(4-pyridyl)methylene]amino] 5-oxo-1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-5-oxo-2-pyrrolidinecarboxylic acid [(Z)-[amino(pyridin-4-yl)methylidene]amino] ester IUPAC Name: [(Z)-[amino(pyridin-4-yl)methylidene]amino] 1-(4-methylphenyl)sulfonyl-5-oxopyrrolidine-2-carboxylate Traditional Name: 5-keto-1-tosyl-pyrrolidine-2-carboxylic acid [(Z)-[amino(4-pyridyl)methylene]amino] ester Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)ON=C(C3=CC=NC=C3)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)O/N=C(/C3=CC=NC=C3)\N

InChI

InChI=1S/C18H18N4O5S/c1-12-2-4-14(5-3-12)28(25,26)22-15(6-7-16(22)23)18(24)27-21-17(19)13-8-10-20-11-9-13/h2-5,8-11,15H,6-7H2,1H3,(H2,19,21)