2-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)phenyl]ethanenitrile

Systemtic Name: 2-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)phenyl]ethanenitrile Openeye Name: 2-[4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)phenyl]acetonitrile CAS Name: 2-[4-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]phenyl]acetonitrile IUPAC Name: 2-[4-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)phenyl]acetonitrile Traditional Name: 2-[4-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)phenyl]acetonitrile Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)CC#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=C(C=C3)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O5S/c19-10-9-14-3-5-15(6-4-14)26-18-8-7-16(13-17(18)21(22)23)27(24,25)20-11-1-2-12-20/h3-8,13H,1-2,9,11-12H2