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

Systemtic Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Openeye Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide CAS Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide IUPAC Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Traditional Name: N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide Formula: C29H23N3O4S MolecularWeight: 509.57562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6O5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6O5

InChI

InChI=1S/C29H23N3O4S/c33-28(30-24-13-9-22(10-14-24)29-31-26-7-3-4-8-27(26)36-29)21-11-15-25(16-12-21)37(34,35)32-18-17-20-5-1-2-6-23(20)19-32/h1-16H,17-19H2,(H,30,33)