4-[[3-[bis(2-chloroethyl)amino]phenyl]sulfonylamino]benzoic acid

Systemtic Name: 4-[[3-[bis(2-chloroethyl)amino]phenyl]sulfonylamino]benzoic acid Openeye Name: 4-[[3-[bis(2-chloroethyl)amino]phenyl]sulfonylamino]benzoic acid CAS Name: 4-[[3-[bis(2-chloroethyl)amino]phenyl]sulfonylamino]benzoic acid IUPAC Name: 4-[[3-[bis(2-chloroethyl)amino]phenyl]sulfonylamino]benzoic acid Traditional Name: 4-[[3-[bis(2-chloroethyl)amino]phenyl]sulfonylamino]benzoic acid Formula: C17H18Cl2N2O4S MolecularWeight: 417.30682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O)N(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)O)N(CCCl)CCCl

InChI

InChI=1S/C17H18Cl2N2O4S/c18-8-10-21(11-9-19)15-2-1-3-16(12-15)26(24,25)20-14-6-4-13(5-7-14)17(22)23/h1-7,12,20H,8-11H2,(H,22,23)