4-tert-butyl-N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzamide Openeye Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-tert-butyl-benzamide CAS Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-tert-butylbenzamide IUPAC Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-tert-butylbenzamide Traditional Name: N-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-tert-butyl-benzamide Formula: C26H28N2O3S MolecularWeight: 448.57712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=CC=C4)C=C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=CC=C4)C=C2

InChI

InChI=1S/C26H28N2O3S/c1-26(2,3)22-12-9-20(10-13-22)25(29)27-23-14-11-19-15-16-28(18-21(19)17-23)32(30,31)24-7-5-4-6-8-24/h4-14,17H,15-16,18H2,1-3H3,(H,27,29)