4-chloranyl-N-[(E)-[5-cyano-1-(phenylmethyl)-4H-pyridin-3-yl]methylideneamino]-3-nitro-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[(E)-[5-cyano-1-(phenylmethyl)-4H-pyridin-3-yl]methylideneamino]-3-nitro-benzenesulfonamide Openeye Name: N-[(E)-(1-benzyl-5-cyano-4H-pyridin-3-yl)methyleneamino]-4-chloro-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[(E)-[5-cyano-1-(phenylmethyl)-4H-pyridin-3-yl]methylideneamino]-3-nitrobenzenesulfonamide IUPAC Name: N-[(E)-(1-benzyl-5-cyano-4H-pyridin-3-yl)methylideneamino]-4-chloro-3-nitrobenzenesulfonamide Traditional Name: N-[(E)-(1-benzyl-5-cyano-4H-pyridin-3-yl)methyleneamino]-4-chloro-3-nitro-benzenesulfonamide Formula: C20H16ClN5O4S MolecularWeight: 457.89014

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CN(C=C1C#N)CC2=CC=CC=C2)C=NNS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C(=CN(C=C1C#N)CC2=CC=CC=C2)/C=N/NS(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H16ClN5O4S/c21-19-7-6-18(9-20(19)26(27)28)31(29,30)24-23-11-17-8-16(10-22)13-25(14-17)12-15-4-2-1-3-5-15/h1-7,9,11,13-14,24H,8,12H2/b23-11+