4-(2-methyl-5-nitro-phenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide

Systemtic Name: 4-(2-methyl-5-nitro-phenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide Openeye Name: 4-(2-methyl-5-nitro-phenyl)sulfonyl-N-(3-pyridylmethyl)piperazine-1-carboxamide CAS Name: 4-(2-methyl-5-nitrophenyl)sulfonyl-N-(3-pyridinylmethyl)-1-piperazinecarboxamide IUPAC Name: 4-(2-methyl-5-nitrophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide Traditional Name: 4-(2-methyl-5-nitro-phenyl)sulfonyl-N-(3-pyridylmethyl)piperazine-1-carboxamide Formula: C18H21N5O5S MolecularWeight: 419.45484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CN=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)NCC3=CN=CC=C3

InChI

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