(E)-2-[2,5-bis(bromanyl)phenyl]sulfonyl-3-(3-nitro-4-piperidin-1-yl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-[2,5-bis(bromanyl)phenyl]sulfonyl-3-(3-nitro-4-piperidin-1-yl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(2,5-dibromophenyl)sulfonyl-3-[3-nitro-4-(1-piperidyl)phenyl]prop-2-enenitrile CAS Name: (E)-2-(2,5-dibromophenyl)sulfonyl-3-[3-nitro-4-(1-piperidinyl)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(2,5-dibromophenyl)sulfonyl-3-(3-nitro-4-piperidin-1-ylphenyl)prop-2-enenitrile Traditional Name: (E)-2-(2,5-dibromophenyl)sulfonyl-3-(3-nitro-4-piperidino-phenyl)acrylonitrile Formula: C20H17Br2N3O4S MolecularWeight: 555.23968

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C=C(C#N)S(=O)(=O)C3=C(C=CC(=C3)Br)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)/C=C(\C#N)/S(=O)(=O)C3=C(C=CC(=C3)Br)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H17Br2N3O4S/c21-15-5-6-17(22)20(12-15)30(28,29)16(13-23)10-14-4-7-18(19(11-14)25(26)27)24-8-2-1-3-9-24/h4-7,10-12H,1-3,8-9H2/b16-10+