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

Systemtic Name: ethyl 4-[4-[[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]amino]-oxomethyl]phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[[6-mesyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C25H30N4O8S3 MolecularWeight: 610.7227

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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=C3N(C4=C(S3)C=C(C=C4)S(=O)(=O)C)CCOC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N=C3N(C4=C(S3)C=C(C=C4)S(=O)(=O)C)CCOC

InChI

InChI=1S/C25H30N4O8S3/c1-4-37-25(31)27-11-13-28(14-12-27)40(34,35)19-7-5-18(6-8-19)23(30)26-24-29(15-16-36-2)21-10-9-20(39(3,32)33)17-22(21)38-24/h5-10,17H,4,11-16H2,1-3H3