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

Systemtic Name: ethyl 4-[4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylphenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C25H29N5O5S2 MolecularWeight: 543.65826

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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=CC=CC=C5S4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H29N5O5S2/c1-2-35-25(32)29-15-17-30(18-16-29)37(33,34)20-9-7-19(8-10-20)23(31)27-11-13-28(14-12-27)24-26-21-5-3-4-6-22(21)36-24/h3-10H,2,11-18H2,1H3