ethyl 2-[[4-[(3,5-dinitro-4-piperidin-1-yl-phenyl)carbonylamino]phenyl]sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[[4-[(3,5-dinitro-4-piperidin-1-yl-phenyl)carbonylamino]phenyl]sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[4-[[3,5-dinitro-4-(1-piperidyl)benzoyl]amino]phenyl]sulfonylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[4-[[[3,5-dinitro-4-(1-piperidinyl)phenyl]-oxomethyl]amino]phenyl]sulfonylamino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-[(3,5-dinitro-4-piperidin-1-ylbenzoyl)amino]phenyl]sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[4-[(3,5-dinitro-4-piperidino-benzoyl)amino]phenyl]sulfonylamino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C25H26N6O9S2 MolecularWeight: 618.63874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])N4CCCCC4)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])N4CCCCC4)[N+](=O)[O-])C

InChI

InChI=1S/C25H26N6O9S2/c1-3-40-24(33)22-15(2)26-25(41-22)28-42(38,39)18-9-7-17(8-10-18)27-23(32)16-13-19(30(34)35)21(20(14-16)31(36)37)29-11-5-4-6-12-29/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,26,28)(H,27,32)