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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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