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

Systemtic Name: N-methyl-2-[2-[(4-morpholin-4-ylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-methyl-2-[2-(4-morpholinosulfonylanilino)-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-methyl-2-[2-[4-(4-morpholinylsulfonyl)anilino]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-methyl-2-[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-[2-keto-2-(4-morpholinosulfonylanilino)ethyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C23H28N4O5S MolecularWeight: 472.55722

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC2=CC=CC=C2CN1CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CNC(=O)C1CC2=CC=CC=C2CN1CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C23H28N4O5S/c1-24-23(29)21-14-17-4-2-3-5-18(17)15-26(21)16-22(28)25-19-6-8-20(9-7-19)33(30,31)27-10-12-32-13-11-27/h2-9,21H,10-16H2,1H3,(H,24,29)(H,25,28)