ethyl 4-[4-[4-(5-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylphenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[4-(5-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylphenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[4-(5-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[4-(5-chloro-4-methoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[4-(5-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[4-(5-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C26H30ClN5O6S2 MolecularWeight: 608.1293

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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=CC(=C5OC)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC5=C(S4)C=CC(=C5OC)Cl

InChI

InChI=1S/C26H30ClN5O6S2/c1-3-38-26(34)31-14-16-32(17-15-31)40(35,36)19-6-4-18(5-7-19)24(33)29-10-12-30(13-11-29)25-28-22-21(39-25)9-8-20(27)23(22)37-2/h4-9H,3,10-17H2,1-2H3