N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-ethylsulfanyl-benzamide

Systemtic Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-ethylsulfanyl-benzamide Openeye Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-ethylsulfanyl-benzamide CAS Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-(ethylthio)benzamide IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-ethylsulfanylbenzamide Traditional Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-(ethylthio)benzamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)NCCCS(=O)(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)NCCCS(=O)(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H26N2O3S2/c1-2-27-20-11-6-5-10-19(20)21(24)22-13-7-15-28(25,26)23-14-12-17-8-3-4-9-18(17)16-23/h3-6,8-11H,2,7,12-16H2,1H3,(H,22,24)