N-(2-oxidanyl-5-piperidin-1-ylsulfonyl-phenyl)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-(2-oxidanyl-5-piperidin-1-ylsulfonyl-phenyl)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[2-hydroxy-5-(1-piperidylsulfonyl)phenyl]-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[2-hydroxy-5-(1-piperidinylsulfonyl)phenyl]-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-(2-hydroxy-5-piperidinosulfonyl-phenyl)-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H27N3O6S3 MolecularWeight: 561.69338

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)O)NC(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C25H27N3O6S3/c29-23-11-10-20(36(31,32)27-12-4-1-5-13-27)16-21(23)26-25(30)22-15-18-7-2-3-8-19(18)17-28(22)37(33,34)24-9-6-14-35-24/h2-3,6-11,14,16,22,29H,1,4-5,12-13,15,17H2,(H,26,30)