2-ethylsulfonyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-ethylsulfonyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-[4-(thiazol-2-ylcarbamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-[4-[oxo-(2-thiazolylamino)methyl]phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-[4-(thiazol-2-ylcarbamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H22N4O4S2 MolecularWeight: 470.56448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=C(C=C3)C(=O)NC4=NC=CS4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=C(C=C3)C(=O)NC4=NC=CS4

InChI

InChI=1S/C22H22N4O4S2/c1-2-32(29,30)26-14-17-6-4-3-5-16(17)13-19(26)21(28)24-18-9-7-15(8-10-18)20(27)25-22-23-11-12-31-22/h3-12,19H,2,13-14H2,1H3,(H,24,28)(H,23,25,27)