N-[4-[(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfamoyl]-3-methyl-phenyl]propanamide

Systemtic Name: N-[4-[(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfamoyl]-3-methyl-phenyl]propanamide Openeye Name: N-[4-[(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfamoyl]-3-methyl-phenyl]propanamide CAS Name: N-[4-[(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfamoyl]-3-methylphenyl]propanamide IUPAC Name: N-[4-[(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfamoyl]-3-methylphenyl]propanamide Traditional Name: N-[4-[(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfamoyl]-3-methyl-phenyl]propionamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)C)C=C2)C

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)S(=O)(=O)NC2=CC3=C(CCN(C3)C(=O)C)C=C2)C

InChI

InChI=1S/C21H25N3O4S/c1-4-21(26)22-18-7-8-20(14(2)11-18)29(27,28)23-19-6-5-16-9-10-24(15(3)25)13-17(16)12-19/h5-8,11-12,23H,4,9-10,13H2,1-3H3,(H,22,26)