ethyl 2-[2-[4-(dipropylsulfamoyl)phenyl]carbonylimino-5-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-[4-(dipropylsulfamoyl)phenyl]carbonylimino-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[4-(dipropylsulfamoyl)benzoyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[[4-(dipropylsulfamoyl)phenyl]-oxomethyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(dipropylsulfamoyl)benzoyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[4-(dipropylsulfamoyl)benzoyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C24H28N4O7S2 MolecularWeight: 548.63172

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])CC(=O)OCC

Isomeric SMILES

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=CC(=C3)[N+](=O)[O-])CC(=O)OCC

InChI

InChI=1S/C24H28N4O7S2/c1-4-13-26(14-5-2)37(33,34)19-10-7-17(8-11-19)23(30)25-24-27(16-22(29)35-6-3)20-15-18(28(31)32)9-12-21(20)36-24/h7-12,15H,4-6,13-14,16H2,1-3H3