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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O6S/c1-15-4-5-17(13-20(15)24(26)27)21(25)22-9-3-11-31(28,29)23-10-8-16-12-19(30-2)7-6-18(16)14-23/h4-7,12-13H,3,8-11,14H2,1-2H3,(H,22,25)