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

Systemtic Name: methyl 2-[2-[4-(dibutylsulfamoyl)phenyl]carbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C26H33N3O7S3 MolecularWeight: 595.75112

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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)OC

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)OC

InChI

InChI=1S/C26H33N3O7S3/c1-5-7-15-28(16-8-6-2)39(34,35)20-11-9-19(10-12-20)25(31)27-26-29(18-24(30)36-3)22-14-13-21(38(4,32)33)17-23(22)37-26/h9-14,17H,5-8,15-16,18H2,1-4H3