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

Systemtic Name: methyl 2-[2-[4-(dibutylsulfamoyl)phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[4-(dibutylsulfamoyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-(dibutylsulfamoyl)phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(dibutylsulfamoyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(dibutylsulfamoyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C25H31N3O5S2 MolecularWeight: 517.66074

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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=CC=CC=C3S2)CC(=O)OC

Isomeric SMILES

CCCCN(CCCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=CC=CC=C3S2)CC(=O)OC

InChI

InChI=1S/C25H31N3O5S2/c1-4-6-16-27(17-7-5-2)35(31,32)20-14-12-19(13-15-20)24(30)26-25-28(18-23(29)33-3)21-10-8-9-11-22(21)34-25/h8-15H,4-7,16-18H2,1-3H3