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

Systemtic Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-3-nitro-benzamide Openeye Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-3-nitro-benzamide CAS Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-3-nitrobenzamide IUPAC Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-3-nitrobenzamide Traditional Name: N-[3-[(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]propyl]-3-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/c1-29-19-7-6-17-14-22(10-8-15(17)13-19)30(27,28)11-3-9-21-20(24)16-4-2-5-18(12-16)23(25)26/h2,4-7,12-13H,3,8-11,14H2,1H3,(H,21,24)