N-methyl-2-[(3-morpholin-4-ylsulfonylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-methyl-2-[(3-morpholin-4-ylsulfonylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-methyl-2-[(3-morpholinosulfonylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-methyl-2-[[3-(4-morpholinylsulfonyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-methyl-2-[(3-morpholin-4-ylsulfonylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-methyl-2-(3-morpholinosulfonylbenzyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC2=CC=CC=C2CN1CC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CNC(=O)C1CC2=CC=CC=C2CN1CC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C22H27N3O4S/c1-23-22(26)21-14-18-6-2-3-7-19(18)16-24(21)15-17-5-4-8-20(13-17)30(27,28)25-9-11-29-12-10-25/h2-8,13,21H,9-12,14-16H2,1H3,(H,23,26)