5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline

Systemtic Name: 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline Openeye Name: 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(3-pyridylmethyl)aniline CAS Name: 5-(4-methylsulfonyl-1-piperazinyl)-2-nitro-N-(3-pyridinylmethyl)aniline IUPAC Name: 5-(4-methylsulfonylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline Traditional Name: [5-(4-mesylpiperazino)-2-nitro-phenyl]-(3-pyridylmethyl)amine Formula: C17H21N5O4S MolecularWeight: 391.44474

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CN=CC=C3

InChI

InChI=1S/C17H21N5O4S/c1-27(25,26)21-9-7-20(8-10-21)15-4-5-17(22(23)24)16(11-15)19-13-14-3-2-6-18-12-14/h2-6,11-12,19H,7-10,13H2,1H3