N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide

Systemtic Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Openeye Name: N-[(4S)-chroman-4-yl]-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzopyran-4-yl]-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Traditional Name: N-[(4S)-chroman-4-yl]-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C1NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1COC2=CC=CC=C2[C@H]1NC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C25H24N2O4S/c28-25(26-23-13-15-31-24-11-4-3-10-22(23)24)19-8-5-9-21(16-19)32(29,30)27-14-12-18-6-1-2-7-20(18)17-27/h1-11,16,23H,12-15,17H2,(H,26,28)/t23-/m0/s1