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

Systemtic Name: ethyl 4-[4-[2-dimethylaminoethyl-(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[2-dimethylaminoethyl-(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[2-dimethylaminoethyl-(6-methylsulfonyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-dimethylaminoethyl-(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[2-dimethylaminoethyl-(6-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=C(C=C4)S(=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=C(C=C4)S(=O)(=O)C

InChI

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