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

Systemtic Name: (2R)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-1-piperidin-1-yl-propan-1-one Openeye Name: (2R)-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)-1-(1-piperidyl)propan-1-one CAS Name: (2R)-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-1-(1-piperidinyl)-1-propanone IUPAC Name: (2R)-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)-1-piperidin-1-ylpropan-1-one Traditional Name: (2R)-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)-1-piperidino-propan-1-one Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCC1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N1CCCCC1)OC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O6S/c1-14(18(22)19-9-3-2-4-10-19)27-17-8-7-15(13-16(17)21(23)24)28(25,26)20-11-5-6-12-20/h7-8,13-14H,2-6,9-12H2,1H3/t14-/m1/s1