5-[4-[4-(dimethylamino)-3-nitro-phenyl]carbonylpiperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one

Systemtic Name: 5-[4-[4-(dimethylamino)-3-nitro-phenyl]carbonylpiperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one Openeye Name: 5-[4-[4-(dimethylamino)-3-nitro-benzoyl]piperazin-1-yl]sulfonyl-4-methyl-3H-thiazol-2-one CAS Name: 5-[[4-[[4-(dimethylamino)-3-nitrophenyl]-oxomethyl]-1-piperazinyl]sulfonyl]-4-methyl-3H-thiazol-2-one IUPAC Name: 5-[4-[4-(dimethylamino)-3-nitrobenzoyl]piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one Traditional Name: 5-[4-[4-(dimethylamino)-3-nitro-benzoyl]piperazino]sulfonyl-4-methyl-4-thiazolin-2-one Formula: C17H21N5O6S2 MolecularWeight: 455.50854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=O)N1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=O)N1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O6S2/c1-11-16(29-17(24)18-11)30(27,28)21-8-6-20(7-9-21)15(23)12-4-5-13(19(2)3)14(10-12)22(25)26/h4-5,10H,6-9H2,1-3H3,(H,18,24)