4-nitro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-1-ylsulfonyl-aniline

Systemtic Name: 4-nitro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-1-ylsulfonyl-aniline Openeye Name: 4-nitro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-1-ylsulfonyl-aniline CAS Name: 4-nitro-N-[[4-(1-pyrazolylmethyl)phenyl]methyl]-2-(1-pyrrolidinylsulfonyl)aniline IUPAC Name: 4-nitro-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-1-ylsulfonylaniline Traditional Name: (4-nitro-2-pyrrolidinosulfonyl-phenyl)-[4-(pyrazol-1-ylmethyl)benzyl]amine Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC=C(C=C3)CN4C=CC=N4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC=C(C=C3)CN4C=CC=N4

InChI

InChI=1S/C21H23N5O4S/c27-26(28)19-8-9-20(21(14-19)31(29,30)25-12-1-2-13-25)22-15-17-4-6-18(7-5-17)16-24-11-3-10-23-24/h3-11,14,22H,1-2,12-13,15-16H2