3-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]benzenecarbonitrile

Systemtic Name: 3-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]benzenecarbonitrile Openeye Name: 3-[(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)methyl]benzonitrile CAS Name: 3-[[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]methyl]benzonitrile IUPAC Name: 3-[(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)methyl]benzonitrile Traditional Name: 3-[(2-nitro-4-pyrrolidinosulfonyl-phenoxy)methyl]benzonitrile 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)OCC3=CC=CC(=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC(=C(C=C2)OCC3=CC=CC(=C3)C#N)[N+](=O)[O-]

InChI

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