4-(4-methylsulfonyl-2-nitro-phenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide

Systemtic Name: 4-(4-methylsulfonyl-2-nitro-phenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide Openeye Name: 4-(4-methylsulfonyl-2-nitro-phenyl)-N-(3-pyridylmethyl)piperazine-1-carboxamide CAS Name: 4-(4-methylsulfonyl-2-nitrophenyl)-N-(3-pyridinylmethyl)-1-piperazinecarboxamide IUPAC Name: 4-(4-methylsulfonyl-2-nitrophenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide Traditional Name: 4-(4-mesyl-2-nitro-phenyl)-N-(3-pyridylmethyl)piperazine-1-carboxamide Formula: C18H21N5O5S MolecularWeight: 419.45484

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)NCC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)NCC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O5S/c1-29(27,28)15-4-5-16(17(11-15)23(25)26)21-7-9-22(10-8-21)18(24)20-13-14-3-2-6-19-12-14/h2-6,11-12H,7-10,13H2,1H3,(H,20,24)