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

Systemtic Name: 1-[(2S)-2-ethylpiperidin-1-yl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone Openeye Name: 1-[(2S)-2-ethyl-1-piperidyl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone CAS Name: 1-[(2S)-2-ethyl-1-piperidinyl]-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]ethanone IUPAC Name: 1-[(2S)-2-ethylpiperidin-1-yl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)ethanone Traditional Name: 1-[(2S)-2-ethylpiperidino]-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)ethanone Formula: C19H27N3O6S MolecularWeight: 425.49918

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O6S/c1-2-15-7-3-4-12-21(15)19(23)14-28-18-9-8-16(13-17(18)22(24)25)29(26,27)20-10-5-6-11-20/h8-9,13,15H,2-7,10-12,14H2,1H3/t15-/m0/s1