3,4-dihydro-1H-isoquinolin-2-yl-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-(4-methoxy-3-pyrrolidin-1-ylsulfonyl-phenyl)methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-methoxy-3-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-(4-methoxy-3-pyrrolidinosulfonyl-phenyl)methanone Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H24N2O4S/c1-27-19-9-8-17(14-20(19)28(25,26)23-11-4-5-12-23)21(24)22-13-10-16-6-2-3-7-18(16)15-22/h2-3,6-9,14H,4-5,10-13,15H2,1H3