2-ethylsulfanyl-N-[2-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]benzamide

Systemtic Name: 2-ethylsulfanyl-N-[2-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]benzamide Openeye Name: 2-ethylsulfanyl-N-[2-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]benzamide CAS Name: 2-(ethylthio)-N-[2-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]benzamide IUPAC Name: 2-ethylsulfanyl-N-[2-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]benzamide Traditional Name: 2-(ethylthio)-N-[2-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]ethyl]benzamide Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)NCCS(=O)(=O)N2CCC3=C(C2)C=CC(=C3)OC

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)NCCS(=O)(=O)N2CCC3=C(C2)C=CC(=C3)OC

InChI

InChI=1S/C21H26N2O4S2/c1-3-28-20-7-5-4-6-19(20)21(24)22-11-13-29(25,26)23-12-10-16-14-18(27-2)9-8-17(16)15-23/h4-9,14H,3,10-13,15H2,1-2H3,(H,22,24)