N-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine

Systemtic Name: N-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine Openeye Name: N-(4-nitro-2-pyrrolidin-1-ylsulfonyl-phenyl)-1-(tetrahydrofuran-2-ylmethyl)pyrazol-4-amine CAS Name: N-[4-nitro-2-(1-pyrrolidinylsulfonyl)phenyl]-1-(2-oxolanylmethyl)-4-pyrazolamine IUPAC Name: N-(4-nitro-2-pyrrolidin-1-ylsulfonylphenyl)-1-(oxolan-2-ylmethyl)pyrazol-4-amine Traditional Name: (4-nitro-2-pyrrolidinosulfonyl-phenyl)-[1-(tetrahydrofurfuryl)pyrazol-4-yl]amine Formula: C18H23N5O5S MolecularWeight: 421.47072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3=CN(N=C3)CC4CCCO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3=CN(N=C3)CC4CCCO4

InChI

InChI=1S/C18H23N5O5S/c24-23(25)15-5-6-17(18(10-15)29(26,27)22-7-1-2-8-22)20-14-11-19-21(12-14)13-16-4-3-9-28-16/h5-6,10-12,16,20H,1-4,7-9,13H2