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

Systemtic Name: 5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline Openeye Name: 5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-N-(3-pyridylmethyl)aniline CAS Name: 5-(4-ethylsulfonyl-1-piperazinyl)-2-nitro-N-(3-pyridinylmethyl)aniline IUPAC Name: 5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-N-(pyridin-3-ylmethyl)aniline Traditional Name: [5-(4-esylpiperazino)-2-nitro-phenyl]-(3-pyridylmethyl)amine Formula: C18H23N5O4S MolecularWeight: 405.47132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O4S/c1-2-28(26,27)22-10-8-21(9-11-22)16-5-6-18(23(24)25)17(12-16)20-14-15-4-3-7-19-13-15/h3-7,12-13,20H,2,8-11,14H2,1H3