2-(4-nitrophenyl)-N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]ethanamide

Systemtic Name: 2-(4-nitrophenyl)-N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]ethanamide Openeye Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(4-nitrophenyl)acetamide CAS Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(4-nitrophenyl)acetamide IUPAC Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(4-nitrophenyl)acetamide Traditional Name: N-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(4-nitrophenyl)acetamide Formula: C23H21N3O5S MolecularWeight: 451.49494

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H21N3O5S/c27-23(14-17-6-10-21(11-7-17)26(28)29)24-20-9-8-18-12-13-25(16-19(18)15-20)32(30,31)22-4-2-1-3-5-22/h1-11,15H,12-14,16H2,(H,24,27)