1-(azepan-1-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propan-1-one

Systemtic Name: 1-(azepan-1-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propan-1-one Openeye Name: 1-(azepan-1-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propan-1-one CAS Name: 1-(1-azepanyl)-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-1-propanone IUPAC Name: 1-(azepan-1-yl)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)propan-1-one Traditional Name: 1-(azepan-1-yl)-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)propan-1-one Formula: C19H27N3O6S MolecularWeight: 425.49918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H27N3O6S/c1-15(19(23)20-10-4-2-3-5-11-20)28-18-9-8-16(14-17(18)22(24)25)29(26,27)21-12-6-7-13-21/h8-9,14-15H,2-7,10-13H2,1H3