[(3S)-2-(2-bromophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [(3S)-2-(2-bromophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [(3S)-2-(2-bromophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-yl-methanone CAS Name: [(3S)-2-(2-bromophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(1-pyrrolidinyl)methanone IUPAC Name: [(3S)-2-(2-bromophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [(3S)-2-(2-bromophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-pyrrolidino-methanone Formula: C20H21BrN2O3S MolecularWeight: 449.36134

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CC=C4Br

Isomeric SMILES

C1CCN(C1)C(=O)[C@@H]2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C20H21BrN2O3S/c21-17-9-3-4-10-19(17)27(25,26)23-14-16-8-2-1-7-15(16)13-18(23)20(24)22-11-5-6-12-22/h1-4,7-10,18H,5-6,11-14H2/t18-/m0/s1