1-(azocan-1-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone

Systemtic Name: 1-(azocan-1-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone Openeye Name: 1-(azocan-1-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone CAS Name: 1-(1-azocanyl)-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]ethanone IUPAC Name: 1-(azocan-1-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)ethanone Traditional Name: 1-(azocan-1-yl)-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)ethanone Formula: C19H27N3O6S MolecularWeight: 425.49918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCC1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CCC1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H27N3O6S/c23-19(20-10-4-2-1-3-5-11-20)15-28-18-9-8-16(14-17(18)22(24)25)29(26,27)21-12-6-7-13-21/h8-9,14H,1-7,10-13,15H2