5-[(3,4-dichlorophenyl)sulfonylamino]-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid

Systemtic Name: 5-[(3,4-dichlorophenyl)sulfonylamino]-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid Openeye Name: 5-[(3,4-dichlorophenyl)sulfonylamino]-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid CAS Name: 5-[(3,4-dichlorophenyl)sulfonylamino]-6-(4-ethyl-1-piperazinyl)-3-pyridinecarboxylic acid IUPAC Name: 5-[(3,4-dichlorophenyl)sulfonylamino]-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid Traditional Name: 5-[(3,4-dichlorophenyl)sulfonylamino]-6-(4-ethylpiperazino)nicotinic acid Formula: C18H20Cl2N4O4S MolecularWeight: 459.3468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=N2)C(=O)O)NS(=O)(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=N2)C(=O)O)NS(=O)(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H20Cl2N4O4S/c1-2-23-5-7-24(8-6-23)17-16(9-12(11-21-17)18(25)26)22-29(27,28)13-3-4-14(19)15(20)10-13/h3-4,9-11,22H,2,5-8H2,1H3,(H,25,26)