N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide

Systemtic Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide Openeye Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-(m-tolylsulfinylmethyl)furan-2-carboxamide CAS Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-[(3-methylphenyl)sulfinylmethyl]-2-furancarboxamide IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-[(3-methylphenyl)sulfinylmethyl]furan-2-carboxamide Traditional Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-5-(m-tolylsulfinylmethyl)-2-furamide Formula: C25H28N2O3S MolecularWeight: 436.56642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)CC2=CC=C(O2)C(=O)NCCCN3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)CC2=CC=C(O2)C(=O)NCCCN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H28N2O3S/c1-19-6-4-9-23(16-19)31(29)18-22-10-11-24(30-22)25(28)26-13-5-14-27-15-12-20-7-2-3-8-21(20)17-27/h2-4,6-11,16H,5,12-15,17-18H2,1H3,(H,26,28)