(3R)-2-(phenylsulfonyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-2-(phenylsulfonyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-2-(benzenesulfonyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-2-(benzenesulfonyl)-N-[3-(1-pyrrolidinylsulfonyl)phenyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-2-(benzenesulfonyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-2-besyl-N-(3-pyrrolidinosulfonylphenyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C26H27N3O5S2 MolecularWeight: 525.63968

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)[C@H]3CC4=CC=CC=C4CN3S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H27N3O5S2/c30-26(27-22-11-8-14-24(18-22)35(31,32)28-15-6-7-16-28)25-17-20-9-4-5-10-21(20)19-29(25)36(33,34)23-12-2-1-3-13-23/h1-5,8-14,18,25H,6-7,15-17,19H2,(H,27,30)/t25-/m1/s1