2-[(4-chlorophenyl)methylsulfonyl]-3-(pyridin-3-ylmethylamino)prop-2-enenitrile

Systemtic Name: 2-[(4-chlorophenyl)methylsulfonyl]-3-(pyridin-3-ylmethylamino)prop-2-enenitrile Openeye Name: 2-[(4-chlorophenyl)methylsulfonyl]-3-(3-pyridylmethylamino)prop-2-enenitrile CAS Name: 2-[(4-chlorophenyl)methylsulfonyl]-3-(3-pyridinylmethylamino)-2-propenenitrile IUPAC Name: 2-[(4-chlorophenyl)methylsulfonyl]-3-(pyridin-3-ylmethylamino)prop-2-enenitrile Traditional Name: 2-(4-chlorobenzyl)sulfonyl-3-(3-pyridylmethylamino)acrylonitrile Formula: C16H14ClN3O2S MolecularWeight: 347.81926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC=C(C#N)S(=O)(=O)CC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC(=CN=C1)CNC=C(C#N)S(=O)(=O)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H14ClN3O2S/c17-15-5-3-13(4-6-15)12-23(21,22)16(8-18)11-20-10-14-2-1-7-19-9-14/h1-7,9,11,20H,10,12H2