ethyl 2-[2-[4-(dibutylsulfamoyl)phenyl]carbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[4-(dibutylsulfamoyl)phenyl]carbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[4-(dibutylsulfamoyl)benzoyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-(dibutylsulfamoyl)phenyl]-oxomethyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(dibutylsulfamoyl)benzoyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(dibutylsulfamoyl)benzoyl]imino-6-mesyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C27H35N3O7S3 MolecularWeight: 609.7777

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC(=O)OCC

Isomeric SMILES

CCCCN(CCCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC(=O)OCC

InChI

InChI=1S/C27H35N3O7S3/c1-5-8-16-29(17-9-6-2)40(35,36)21-12-10-20(11-13-21)26(32)28-27-30(19-25(31)37-7-3)23-15-14-22(39(4,33)34)18-24(23)38-27/h10-15,18H,5-9,16-17,19H2,1-4H3