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

Systemtic Name: 2-nitro-4-piperidin-1-ylsulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]aniline Openeye Name: 2-nitro-4-(1-piperidylsulfonyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]aniline CAS Name: 2-nitro-4-(1-piperidinylsulfonyl)-N-[[2-(1-pyrazolylmethyl)phenyl]methyl]aniline IUPAC Name: 2-nitro-4-piperidin-1-ylsulfonyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]aniline Traditional Name: (2-nitro-4-piperidinosulfonyl-phenyl)-[2-(pyrazol-1-ylmethyl)benzyl]amine Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3CN4C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCC3=CC=CC=C3CN4C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O4S/c28-27(29)22-15-20(32(30,31)26-13-4-1-5-14-26)9-10-21(22)23-16-18-7-2-3-8-19(18)17-25-12-6-11-24-25/h2-3,6-12,15,23H,1,4-5,13-14,16-17H2