2-[(4-bromanyl-3-methyl-phenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid

Systemtic Name: 2-[(4-bromanyl-3-methyl-phenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid Openeye Name: 2-[(4-bromo-3-methyl-phenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid CAS Name: 2-[(4-bromo-3-methylphenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid IUPAC Name: 2-[(4-bromo-3-methylphenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid Traditional Name: 2-[(4-bromo-3-methyl-phenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid Formula: C18H20BrNO7S MolecularWeight: 474.3229

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC(=C(C=C2C(=O)O)OC)OCCOC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC(=C(C=C2C(=O)O)OC)OCCOC)Br

InChI

InChI=1S/C18H20BrNO7S/c1-11-8-12(4-5-14(11)19)28(23,24)20-15-10-17(27-7-6-25-2)16(26-3)9-13(15)18(21)22/h4-5,8-10,20H,6-7H2,1-3H3,(H,21,22)