4-[bis(2-chloroethyl)sulfamoyl]-N-(5-nitro-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 4-[bis(2-chloroethyl)sulfamoyl]-N-(5-nitro-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-[bis(2-chloroethyl)sulfamoyl]-N-(5-nitro-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-[bis(2-chloroethyl)sulfamoyl]-N-(5-nitro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-[bis(2-chloroethyl)sulfamoyl]-N-(5-nitro-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-[bis(2-chloroethyl)sulfamoyl]-N-(5-nitro-1,3-benzothiazol-2-yl)benzamide Formula: C18H16Cl2N4O5S2 MolecularWeight: 503.37944

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-])S(=O)(=O)N(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-])S(=O)(=O)N(CCCl)CCCl

InChI

InChI=1S/C18H16Cl2N4O5S2/c19-7-9-23(10-8-20)31(28,29)14-4-1-12(2-5-14)17(25)22-18-21-15-11-13(24(26)27)3-6-16(15)30-18/h1-6,11H,7-10H2,(H,21,22,25)