(3S)-2-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[2-oxidanylidene-2-[(3-pyrrolidin-1-ylsulfonylphenyl)amino]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[2-oxo-2-[3-(1-pyrrolidinylsulfonyl)anilino]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[2-oxo-2-(3-pyrrolidin-1-ylsulfonylanilino)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[2-keto-2-(3-pyrrolidinosulfonylanilino)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3CC4=CC=CC=C4CC3C(=O)N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CN3CC4=CC=CC=C4C[C@H]3C(=O)N

InChI

InChI=1S/C22H26N4O4S/c23-22(28)20-12-16-6-1-2-7-17(16)14-25(20)15-21(27)24-18-8-5-9-19(13-18)31(29,30)26-10-3-4-11-26/h1-2,5-9,13,20H,3-4,10-12,14-15H2,(H2,23,28)(H,24,27)/t20-/m0/s1