3,4-dihydro-1H-isoquinolin-2-yl-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-methoxy-5-(1-piperidylsulfonyl)phenyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2-methoxy-5-(1-piperidinylsulfonyl)phenyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-(2-methoxy-5-piperidinosulfonyl-phenyl)methanone Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H26N2O4S/c1-28-21-10-9-19(29(26,27)24-12-5-2-6-13-24)15-20(21)22(25)23-14-11-17-7-3-4-8-18(17)16-23/h3-4,7-10,15H,2,5-6,11-14,16H2,1H3