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

Systemtic Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-2-nitro-benzamide Openeye Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-2-nitro-benzamide CAS Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-2-nitrobenzamide IUPAC Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-2-nitrobenzamide Traditional Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-2-nitro-benzamide Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CN(CC2)S(=O)(=O)CCCNC(=O)C3=CC=CC=C3[N+](=O)[O-])C=C1

Isomeric SMILES

COC1=CC2=C(CN(CC2)S(=O)(=O)CCCNC(=O)C3=CC=CC=C3[N+](=O)[O-])C=C1

InChI

InChI=1S/C20H23N3O6S/c1-29-17-8-7-16-14-22(11-9-15(16)13-17)30(27,28)12-4-10-21-20(24)18-5-2-3-6-19(18)23(25)26/h2-3,5-8,13H,4,9-12,14H2,1H3,(H,21,24)