(3S)-2-ethylsulfonyl-N-methyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-ethylsulfonyl-N-methyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-ethylsulfonyl-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-ethylsulfonyl-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-ethylsulfonyl-N-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-esyl-N-[(4-keto-1H-quinazolin-2-yl)methyl]-N-methyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)N(C)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCS(=O)(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)N(C)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H24N4O4S/c1-3-31(29,30)26-13-16-9-5-4-8-15(16)12-19(26)22(28)25(2)14-20-23-18-11-7-6-10-17(18)21(27)24-20/h4-11,19H,3,12-14H2,1-2H3,(H,23,24,27)/t19-/m0/s1