(E)-3-azanyl-2,4-bis[(4-chlorophenyl)sulfonyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2,4-bis[(4-chlorophenyl)sulfonyl]but-2-enenitrile Openeye Name: (E)-3-amino-2,4-bis[(4-chlorophenyl)sulfonyl]but-2-enenitrile CAS Name: (E)-3-amino-2,4-bis[(4-chlorophenyl)sulfonyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2,4-bis[(4-chlorophenyl)sulfonyl]but-2-enenitrile Traditional Name: (E)-3-amino-2,4-bis[(4-chlorophenyl)sulfonyl]but-2-enenitrile Formula: C16H12Cl2N2O4S2 MolecularWeight: 431.31348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1S(=O)(=O)CC(=C(C#N)S(=O)(=O)C2=CC=C(C=C2)Cl)N)Cl

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)C/C(=C(/C#N)\S(=O)(=O)C2=CC=C(C=C2)Cl)/N)Cl

InChI

InChI=1S/C16H12Cl2N2O4S2/c17-11-1-5-13(6-2-11)25(21,22)10-15(20)16(9-19)26(23,24)14-7-3-12(18)4-8-14/h1-8H,10,20H2/b16-15+