ethyl 4-[4-[2-dimethylaminoethyl-(6-fluoranyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[2-dimethylaminoethyl-(6-fluoranyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[2-dimethylaminoethyl-(6-fluoro-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[2-dimethylaminoethyl-(6-fluoro-1,3-benzothiazol-2-yl)amino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-dimethylaminoethyl-(6-fluoro-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[2-dimethylaminoethyl-(6-fluoro-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C25H30FN5O5S2 MolecularWeight: 563.664603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CCN(C)C)C3=NC4=C(S3)C=C(C=C4)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CCN(C)C)C3=NC4=C(S3)C=C(C=C4)F

InChI

InChI=1S/C25H30FN5O5S2/c1-4-36-25(33)29-12-14-30(15-13-29)38(34,35)20-8-5-18(6-9-20)23(32)31(16-11-28(2)3)24-27-21-10-7-19(26)17-22(21)37-24/h5-10,17H,4,11-16H2,1-3H3