2-ethylsulfonyl-N-[4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-ethylsulfonyl-N-[4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-(4-oxazol-5-ylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-[4-(5-oxazolyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-[4-(1,3-oxazol-5-yl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-(4-oxazol-5-ylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=C(C=C3)C4=CN=CO4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=CC=C(C=C3)C4=CN=CO4

InChI

InChI=1S/C21H21N3O4S/c1-2-29(26,27)24-13-17-6-4-3-5-16(17)11-19(24)21(25)23-18-9-7-15(8-10-18)20-12-22-14-28-20/h3-10,12,14,19H,2,11,13H2,1H3,(H,23,25)