N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-2-methyl-3-nitro-benzamide CAS Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-2-methyl-3-nitro-benzamide Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCCCS(=O)(=O)N2CCC3=C(C2)C=CC(=C3)OC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NCCCS(=O)(=O)N2CCC3=C(C2)C=CC(=C3)OC

InChI

InChI=1S/C21H25N3O6S/c1-15-19(5-3-6-20(15)24(26)27)21(25)22-10-4-12-31(28,29)23-11-9-16-13-18(30-2)8-7-17(16)14-23/h3,5-8,13H,4,9-12,14H2,1-2H3,(H,22,25)