(E)-2-(4-chlorophenyl)sulfonyl-3-(3-nitro-4-pyrrolidin-1-yl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(4-chlorophenyl)sulfonyl-3-(3-nitro-4-pyrrolidin-1-yl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(4-chlorophenyl)sulfonyl-3-(3-nitro-4-pyrrolidin-1-yl-phenyl)prop-2-enenitrile CAS Name: (E)-2-(4-chlorophenyl)sulfonyl-3-[3-nitro-4-(1-pyrrolidinyl)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(4-chlorophenyl)sulfonyl-3-(3-nitro-4-pyrrolidin-1-ylphenyl)prop-2-enenitrile Traditional Name: (E)-2-(4-chlorophenyl)sulfonyl-3-(3-nitro-4-pyrrolidino-phenyl)acrylonitrile Formula: C19H16ClN3O4S MolecularWeight: 417.86604

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)/C=C(\C#N)/S(=O)(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H16ClN3O4S/c20-15-4-6-16(7-5-15)28(26,27)17(13-21)11-14-3-8-18(19(12-14)23(24)25)22-9-1-2-10-22/h3-8,11-12H,1-2,9-10H2/b17-11+