[5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-phenyl]-pyridin-3-yl-methanamine

Systemtic Name: [5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-phenyl]-pyridin-3-yl-methanamine Openeye Name: [5-(4-ethylsulfonylpiperazin-1-yl)-2-nitro-phenyl]-(3-pyridyl)methanamine CAS Name: [5-(4-ethylsulfonyl-1-piperazinyl)-2-nitrophenyl]-(3-pyridinyl)methanamine IUPAC Name: [5-(4-ethylsulfonylpiperazin-1-yl)-2-nitrophenyl]-pyridin-3-ylmethanamine Traditional Name: [[5-(4-esylpiperazino)-2-nitro-phenyl]-(3-pyridyl)methyl]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-])C(C3=CN=CC=C3)N

Isomeric SMILES

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

InChI

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