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

Systemtic Name: ethyl 4-[4-[1,3-benzothiazol-2-yl(2-diethylaminoethyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[1,3-benzothiazol-2-yl(2-diethylaminoethyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[1,3-benzothiazol-2-yl(2-diethylaminoethyl)amino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[1,3-benzothiazol-2-yl(2-diethylaminoethyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[1,3-benzothiazol-2-yl(2-diethylaminoethyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C27H35N5O5S2 MolecularWeight: 573.7273

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)OCC

Isomeric SMILES

CCN(CC)CCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)C(=O)OCC

InChI

InChI=1S/C27H35N5O5S2/c1-4-29(5-2)15-20-32(26-28-23-9-7-8-10-24(23)38-26)25(33)21-11-13-22(14-12-21)39(35,36)31-18-16-30(17-19-31)27(34)37-6-3/h7-14H,4-6,15-20H2,1-3H3