(3S)-2-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-(4-chloranyl-3-pyrrolidin-1-ylsulfonyl-phenyl)carbonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-(4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[[4-chloro-3-(1-pyrrolidinylsulfonyl)phenyl]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-(4-chloro-3-pyrrolidinosulfonyl-benzoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CC4=CC=CC=C4CC3C(=O)N)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)N3CC4=CC=CC=C4C[C@H]3C(=O)N)Cl

InChI

InChI=1S/C21H22ClN3O4S/c22-17-8-7-15(12-19(17)30(28,29)24-9-3-4-10-24)21(27)25-13-16-6-2-1-5-14(16)11-18(25)20(23)26/h1-2,5-8,12,18H,3-4,9-11,13H2,(H2,23,26)/t18-/m0/s1