N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-4-methyl-3-nitro-benzamide CAS Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-4-methyl-3-nitro-benzamide Formula: C20H23N3O5S MolecularWeight: 417.47872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCCS(=O)(=O)N2CCC3=CC=CC=C3C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCCS(=O)(=O)N2CCC3=CC=CC=C3C2)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5S/c1-15-7-8-17(13-19(15)23(25)26)20(24)21-10-4-12-29(27,28)22-11-9-16-5-2-3-6-18(16)14-22/h2-3,5-8,13H,4,9-12,14H2,1H3,(H,21,24)