(2S)-4-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2S)-4-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]carbonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2S)-4-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2S)-4-[[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-oxomethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2S)-4-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2S)-4-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C25H23N3O5S MolecularWeight: 477.53222

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)N4CC(OC5=CC=CC=C54)C(=O)N

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)N4C[C@H](OC5=CC=CC=C54)C(=O)N

InChI

InChI=1S/C25H23N3O5S/c26-24(29)23-16-28(21-10-3-4-11-22(21)33-23)25(30)18-8-5-9-20(14-18)34(31,32)27-13-12-17-6-1-2-7-19(17)15-27/h1-11,14,23H,12-13,15-16H2,(H2,26,29)/t23-/m0/s1