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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O6S/c1-14-6-10-19(11-7-14)18(22)13-27-17-5-4-15(12-16(17)21(23)24)28(25,26)20-8-2-3-9-20/h4-5,12,14H,2-3,6-11,13H2,1H3