ethyl 4-[4-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[2-(1,3-benzothiazol-2-yl)anilino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[[2-(1,3-benzothiazol-2-yl)phenyl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C27H26N4O5S2 MolecularWeight: 550.64914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H26N4O5S2/c1-2-36-27(33)30-15-17-31(18-16-30)38(34,35)20-13-11-19(12-14-20)25(32)28-22-8-4-3-7-21(22)26-29-23-9-5-6-10-24(23)37-26/h3-14H,2,15-18H2,1H3,(H,28,32)