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

Systemtic Name: ethyl 4-[4-[2-dimethylaminoethyl-(4-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[2-dimethylaminoethyl-(4-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[2-dimethylaminoethyl-(4-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-dimethylaminoethyl-(4-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[2-dimethylaminoethyl-(4-mesyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C26H33N5O7S3 MolecularWeight: 623.76452

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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=CC=C4S(=O)(=O)C

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=CC=C4S(=O)(=O)C

InChI

InChI=1S/C26H33N5O7S3/c1-5-38-26(33)29-14-16-30(17-15-29)41(36,37)20-11-9-19(10-12-20)24(32)31(18-13-28(2)3)25-27-23-21(39-25)7-6-8-22(23)40(4,34)35/h6-12H,5,13-18H2,1-4H3