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

Systemtic Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]acetamide CAS Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]acetamide Traditional Name: 2-(benzylthio)-N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]acetamide Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)CCCNC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)CCCNC(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O3S2/c24-21(17-27-16-18-7-2-1-3-8-18)22-12-6-14-28(25,26)23-13-11-19-9-4-5-10-20(19)15-23/h1-5,7-10H,6,11-17H2,(H,22,24)