1-[(3S)-3-methylpiperidin-1-yl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone

Systemtic Name: 1-[(3S)-3-methylpiperidin-1-yl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone Openeye Name: 1-[(3S)-3-methyl-1-piperidyl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone CAS Name: 1-[(3S)-3-methyl-1-piperidinyl]-2-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]ethanone IUPAC Name: 1-[(3S)-3-methylpiperidin-1-yl]-2-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)ethanone Traditional Name: 1-[(3S)-3-methylpiperidino]-2-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)ethanone Formula: C18H25N3O6S MolecularWeight: 411.4726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O6S/c1-14-5-4-8-19(12-14)18(22)13-27-17-7-6-15(11-16(17)21(23)24)28(25,26)20-9-2-3-10-20/h6-7,11,14H,2-5,8-10,12-13H2,1H3/t14-/m0/s1