1-[(2S)-2-methylpiperidin-1-yl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone

Systemtic Name: 1-[(2S)-2-methylpiperidin-1-yl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone Openeye Name: 1-[(2S)-2-methyl-1-piperidyl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone CAS Name: 1-[(2S)-2-methyl-1-piperidinyl]-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]ethanone IUPAC Name: 1-[(2S)-2-methylpiperidin-1-yl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)ethanone Traditional Name: 1-[(2S)-2-methylpiperidino]-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)ethanone Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCCN1C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O6S/c1-14-6-2-3-11-20(14)18(22)13-27-17-8-7-15(12-16(17)21(23)24)28(25,26)19-9-4-5-10-19/h7-8,12,14H,2-6,9-11,13H2,1H3/t14-/m0/s1