2-ethylsulfonyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-ethylsulfonyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-ethylsulfonyl-N-(5-methyl-4-phenyl-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-ethylsulfonyl-N-(5-methyl-4-phenyl-2-thiazolyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-ethylsulfonyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-esyl-N-(5-methyl-4-phenyl-thiazol-2-yl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=NC(=C(S3)C)C4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)NC3=NC(=C(S3)C)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O3S2/c1-3-30(27,28)25-14-18-12-8-7-11-17(18)13-19(25)21(26)24-22-23-20(15(2)29-22)16-9-5-4-6-10-16/h4-12,19H,3,13-14H2,1-2H3,(H,23,24,26)