2-nitro-4-piperidin-1-ylsulfonyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]aniline

Systemtic Name: 2-nitro-4-piperidin-1-ylsulfonyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]aniline Openeye Name: 2-nitro-4-(1-piperidylsulfonyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]aniline CAS Name: 2-nitro-4-(1-piperidinylsulfonyl)-N-[2-[4-(1-pyrazolyl)phenyl]ethyl]aniline IUPAC Name: 2-nitro-4-piperidin-1-ylsulfonyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]aniline Traditional Name: (2-nitro-4-piperidinosulfonyl-phenyl)-[2-(4-pyrazol-1-ylphenyl)ethyl]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)NCCC3=CC=C(C=C3)N4C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)NCCC3=CC=C(C=C3)N4C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O4S/c28-27(29)22-17-20(32(30,31)25-14-2-1-3-15-25)9-10-21(22)23-13-11-18-5-7-19(8-6-18)26-16-4-12-24-26/h4-10,12,16-17,23H,1-3,11,13-15H2