2-(furan-2-ylmethyl)-3-[(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)amino]propan-1-ol

Systemtic Name: 2-(furan-2-ylmethyl)-3-[(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)amino]propan-1-ol Openeye Name: 2-(2-furylmethyl)-3-(4-nitro-2-pyrrolidin-1-ylsulfonyl-anilino)propan-1-ol CAS Name: 2-(2-furanylmethyl)-3-[4-nitro-2-(1-pyrrolidinylsulfonyl)anilino]-1-propanol IUPAC Name: 2-(furan-2-ylmethyl)-3-(4-nitro-2-pyrrolidin-1-ylsulfonylanilino)propan-1-ol Traditional Name: 2-(2-furfuryl)-3-(4-nitro-2-pyrrolidinosulfonyl-anilino)propan-1-ol Formula: C18H23N3O6S MolecularWeight: 409.45672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC(CC3=CC=CO3)CO

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC(CC3=CC=CO3)CO

InChI

InChI=1S/C18H23N3O6S/c22-13-14(10-16-4-3-9-27-16)12-19-17-6-5-15(21(23)24)11-18(17)28(25,26)20-7-1-2-8-20/h3-6,9,11,14,19,22H,1-2,7-8,10,12-13H2