(2-methyl-3-nitro-phenyl)-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]methanone

Systemtic Name: (2-methyl-3-nitro-phenyl)-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]methanone Openeye Name: (2-methyl-3-nitro-phenyl)-[4-(5-morpholinosulfonyl-2-pyridyl)piperazin-1-yl]methanone CAS Name: (2-methyl-3-nitrophenyl)-[4-[5-(4-morpholinylsulfonyl)-2-pyridinyl]-1-piperazinyl]methanone IUPAC Name: (2-methyl-3-nitrophenyl)-[4-(5-morpholin-4-ylsulfonylpyridin-2-yl)piperazin-1-yl]methanone Traditional Name: (2-methyl-3-nitro-phenyl)-[4-(5-morpholinosulfonyl-2-pyridyl)piperazino]methanone Formula: C21H25N5O6S MolecularWeight: 475.5181

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C3=NC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H25N5O6S/c1-16-18(3-2-4-19(16)26(28)29)21(27)24-9-7-23(8-10-24)20-6-5-17(15-22-20)33(30,31)25-11-13-32-14-12-25/h2-6,15H,7-14H2,1H3