2-(azocan-1-yl)-5-[(4-ethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid

Systemtic Name: 2-(azocan-1-yl)-5-[(4-ethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid Openeye Name: 2-(azocan-1-yl)-5-[(4-ethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid CAS Name: 2-(1-azocanyl)-5-[(4-ethoxyphenyl)sulfonylamino]-3-pyridinecarboxylic acid IUPAC Name: 2-(azocan-1-yl)-5-[(4-ethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid Traditional Name: 2-(azocan-1-yl)-5-(p-phenetylsulfonylamino)nicotinic acid Formula: C21H27N3O5S MolecularWeight: 433.52118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CN=C(C(=C2)C(=O)O)N3CCCCCCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=CN=C(C(=C2)C(=O)O)N3CCCCCCC3

InChI

InChI=1S/C21H27N3O5S/c1-2-29-17-8-10-18(11-9-17)30(27,28)23-16-14-19(21(25)26)20(22-15-16)24-12-6-4-3-5-7-13-24/h8-11,14-15,23H,2-7,12-13H2,1H3,(H,25,26)