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

Systemtic Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-9H-xanthene-9-carboxamide Openeye Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-9H-xanthene-9-carboxamide CAS Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-9H-xanthene-9-carboxamide Traditional Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-9H-xanthene-9-carboxamide Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N2O4S/c29-26(25-21-10-3-5-12-23(21)32-24-13-6-4-11-22(24)25)27-15-7-17-33(30,31)28-16-14-19-8-1-2-9-20(19)18-28/h1-6,8-13,25H,7,14-18H2,(H,27,29)