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

Systemtic Name: ethyl 4-[4-[1,3-benzothiazol-2-yl(2-dimethylaminoethyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[1,3-benzothiazol-2-yl(2-dimethylaminoethyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[1,3-benzothiazol-2-yl(2-dimethylaminoethyl)amino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[1,3-benzothiazol-2-yl(2-dimethylaminoethyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[1,3-benzothiazol-2-yl(2-dimethylaminoethyl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C25H31N5O5S2 MolecularWeight: 545.67414

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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=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(CCN(C)C)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H31N5O5S2/c1-4-35-25(32)28-14-16-29(17-15-28)37(33,34)20-11-9-19(10-12-20)23(31)30(18-13-27(2)3)24-26-21-7-5-6-8-22(21)36-24/h5-12H,4,13-18H2,1-3H3