ethyl 4-[4-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylphenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylphenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C25H28N6O7S2 MolecularWeight: 588.65582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H28N6O7S2/c1-2-38-25(33)29-13-15-30(16-14-29)40(36,37)20-6-3-18(4-7-20)23(32)27-9-11-28(12-10-27)24-26-21-8-5-19(31(34)35)17-22(21)39-24/h3-8,17H,2,9-16H2,1H3