[2-(dimethylamino)pyridin-3-yl]-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [2-(dimethylamino)pyridin-3-yl]-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [2-(dimethylamino)-3-pyridyl]-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [2-(dimethylamino)-3-pyridinyl]-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [2-(dimethylamino)pyridin-3-yl]-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [2-(dimethylamino)-3-pyridyl]-(4-nosylpiperazino)methanone Formula: C18H21N5O5S MolecularWeight: 419.45484

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=CC=N1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O5S/c1-20(2)17-16(4-3-9-19-17)18(24)21-10-12-22(13-11-21)29(27,28)15-7-5-14(6-8-15)23(25)26/h3-9H,10-13H2,1-2H3