2-nitro-5-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-N-(pyridin-3-ylmethyl)aniline

Systemtic Name: 2-nitro-5-[4-(phenylmethyl)sulfonylpiperazin-1-yl]-N-(pyridin-3-ylmethyl)aniline Openeye Name: 5-(4-benzylsulfonylpiperazin-1-yl)-2-nitro-N-(3-pyridylmethyl)aniline CAS Name: 2-nitro-5-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-N-(3-pyridinylmethyl)aniline IUPAC Name: 5-(4-benzylsulfonylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline Traditional Name: [5-(4-benzylsulfonylpiperazino)-2-nitro-phenyl]-(3-pyridylmethyl)amine Formula: C23H25N5O4S MolecularWeight: 467.5407

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C23H25N5O4S/c29-28(30)23-9-8-21(15-22(23)25-17-20-7-4-10-24-16-20)26-11-13-27(14-12-26)33(31,32)18-19-5-2-1-3-6-19/h1-10,15-16,25H,11-14,17-18H2