N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-9H-xanthene-9-carboxamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-9H-xanthene-9-carboxamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-9H-xanthene-9-carboxamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-9H-xanthene-9-carboxamide Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)CCNC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)CCNC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C25H24N2O4S/c28-25(24-20-9-3-5-11-22(20)31-23-12-6-4-10-21(23)24)26-14-16-32(29,30)27-15-13-18-7-1-2-8-19(18)17-27/h1-12,24H,13-17H2,(H,26,28)