N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2-[2-furanyl(oxo)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]-2-(2-furoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H27N3O5S MolecularWeight: 481.56398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NCCNC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CO4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NCCNC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CO4

InChI

InChI=1S/C25H27N3O5S/c1-17-9-10-18(2)23(14-17)34(31,32)27-12-11-26-24(29)21-15-19-6-3-4-7-20(19)16-28(21)25(30)22-8-5-13-33-22/h3-10,13-14,21,27H,11-12,15-16H2,1-2H3,(H,26,29)