N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-9H-xanthene-9-carboxamide

Systemtic Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-9H-xanthene-9-carboxamide Openeye Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-9H-xanthene-9-carboxamide CAS Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-9H-xanthene-9-carboxamide IUPAC Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-9H-xanthene-9-carboxamide Traditional Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-9H-xanthene-9-carboxamide Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CN(CC2)S(=O)(=O)CCCNC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)C=C1

Isomeric SMILES

COC1=CC2=C(CN(CC2)S(=O)(=O)CCCNC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)C=C1

InChI

InChI=1S/C27H28N2O5S/c1-33-21-12-11-20-18-29(15-13-19(20)17-21)35(31,32)16-6-14-28-27(30)26-22-7-2-4-9-24(22)34-25-10-5-3-8-23(25)26/h2-5,7-12,17,26H,6,13-16,18H2,1H3,(H,28,30)