N-[(3-phenoxyphenyl)methyl]-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[(3-phenoxyphenyl)methyl]-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[(3-phenoxyphenyl)methyl]-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[(3-phenoxyphenyl)methyl]-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[(3-phenoxyphenyl)methyl]-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(3-phenoxybenzyl)-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C27H24N2O4S2 MolecularWeight: 504.62046

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CS3)C(=O)NCC4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CS3)C(=O)NCC4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C27H24N2O4S2/c30-27(28-18-20-8-6-13-24(16-20)33-23-11-2-1-3-12-23)25-17-21-9-4-5-10-22(21)19-29(25)35(31,32)26-14-7-15-34-26/h1-16,25H,17-19H2,(H,28,30)