1-[2-(hydroxymethyl)piperidin-1-yl]-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propan-2-ol

Systemtic Name: 1-[2-(hydroxymethyl)piperidin-1-yl]-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propan-2-ol Openeye Name: 1-[2-(hydroxymethyl)-1-piperidyl]-3-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenoxy)propan-2-ol CAS Name: 1-[2-(hydroxymethyl)-1-piperidinyl]-3-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenoxy]-2-propanol IUPAC Name: 1-[2-(hydroxymethyl)piperidin-1-yl]-3-(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)propan-2-ol Traditional Name: 1-(2-methylolpiperidino)-3-(2-nitro-4-pyrrolidinosulfonyl-phenoxy)propan-2-ol Formula: C19H29N3O7S MolecularWeight: 443.51446

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CO)CC(COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])O

Isomeric SMILES

C1CCN(C(C1)CO)CC(COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-])O

InChI

InChI=1S/C19H29N3O7S/c23-13-15-5-1-2-8-20(15)12-16(24)14-29-19-7-6-17(11-18(19)22(25)26)30(27,28)21-9-3-4-10-21/h6-7,11,15-16,23-24H,1-5,8-10,12-14H2