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

Systemtic Name: ethyl 4-[4-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[3-(1,3-benzothiazol-2-yl)anilino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[[3-(1,3-benzothiazol-2-yl)phenyl]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[[3-(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(=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4

InChI

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