[3-cyano-2-[(4-methoxyphenyl)carbonylamino]-4-(thiophen-2-ylmethylamino)quinolin-6-yl]sulfamic acid

Systemtic Name: [3-cyano-2-[(4-methoxyphenyl)carbonylamino]-4-(thiophen-2-ylmethylamino)quinolin-6-yl]sulfamic acid Openeye Name: [3-cyano-2-[(4-methoxybenzoyl)amino]-4-(2-thienylmethylamino)-6-quinolyl]sulfamic acid CAS Name: [3-cyano-2-[[(4-methoxyphenyl)-oxomethyl]amino]-4-(thiophen-2-ylmethylamino)-6-quinolinyl]sulfamic acid IUPAC Name: [3-cyano-2-[(4-methoxybenzoyl)amino]-4-(thiophen-2-ylmethylamino)quinolin-6-yl]sulfamic acid Traditional Name: [3-cyano-2-(p-anisoylamino)-4-(2-thenylamino)-6-quinolyl]sulfamic acid Formula: C23H19N5O5S2 MolecularWeight: 509.55746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC2=NC3=C(C=C(C=C3)NS(=O)(=O)O)C(=C2C#N)NCC4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC2=NC3=C(C=C(C=C3)NS(=O)(=O)O)C(=C2C#N)NCC4=CC=CS4

InChI

InChI=1S/C23H19N5O5S2/c1-33-16-7-4-14(5-8-16)23(29)27-22-19(12-24)21(25-13-17-3-2-10-34-17)18-11-15(28-35(30,31)32)6-9-20(18)26-22/h2-11,28H,13H2,1H3,(H,30,31,32)(H2,25,26,27,29)