[1-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]piperidin-3-yl]-morpholin-4-yl-methanone

Systemtic Name: [1-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]piperidin-3-yl]-morpholin-4-yl-methanone Openeye Name: [1-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitro-phenyl]-3-piperidyl]-morpholino-methanone CAS Name: [1-[4-[(4-methyl-1-piperazinyl)sulfonyl]-2-nitrophenyl]-3-piperidinyl]-(4-morpholinyl)methanone IUPAC Name: [1-[4-(4-methylpiperazin-1-yl)sulfonyl-2-nitrophenyl]piperidin-3-yl]-morpholin-4-ylmethanone Traditional Name: [1-[4-(4-methylpiperazino)sulfonyl-2-nitro-phenyl]-3-piperidyl]-morpholino-methanone Formula: C21H31N5O6S MolecularWeight: 481.56574

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC(C3)C(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCCC(C3)C(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H31N5O6S/c1-22-7-9-25(10-8-22)33(30,31)18-4-5-19(20(15-18)26(28)29)24-6-2-3-17(16-24)21(27)23-11-13-32-14-12-23/h4-5,15,17H,2-3,6-14,16H2,1H3