N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-9H-xanthene-9-carboxamide

Systemtic Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-9H-xanthene-9-carboxamide Openeye Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-9H-xanthene-9-carboxamide CAS Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-9H-xanthene-9-carboxamide IUPAC Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-9H-xanthene-9-carboxamide Traditional Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-9H-xanthene-9-carboxamide Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C26H26N2O4S/c1-2-15-33(30,31)28-14-13-18-11-12-20(16-19(18)17-28)27-26(29)25-21-7-3-5-9-23(21)32-24-10-6-4-8-22(24)25/h3-12,16,25H,2,13-15,17H2,1H3,(H,27,29)