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

Systemtic Name: 2-ethanoyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-acetyl-N-[(4-morpholinosulfonylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-acetyl-N-[[4-(4-morpholinylsulfonyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-acetyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-acetyl-N-(4-morpholinosulfonylbenzyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C23H27N3O5S/c1-17(27)26-16-20-5-3-2-4-19(20)14-22(26)23(28)24-15-18-6-8-21(9-7-18)32(29,30)25-10-12-31-13-11-25/h2-9,22H,10-16H2,1H3,(H,24,28)