2-[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(3-indolin-1-ylsulfonylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-(3-indolin-1-ylsulfonylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)N4CC5=CC=CC=C5CC4C(=O)N

Isomeric SMILES

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)N4CC5=CC=CC=C5CC4C(=O)N

InChI

InChI=1S/C25H23N3O4S/c26-24(29)23-15-18-7-1-2-8-20(18)16-27(23)25(30)19-9-5-10-21(14-19)33(31,32)28-13-12-17-6-3-4-11-22(17)28/h1-11,14,23H,12-13,15-16H2,(H2,26,29)