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

Systemtic Name: N-[3-methyl-4-[(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfamoyl]phenyl]propanamide Openeye Name: N-[3-methyl-4-[(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfamoyl]phenyl]propanamide CAS Name: N-[3-methyl-4-[[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]sulfamoyl]phenyl]propanamide IUPAC Name: N-[3-methyl-4-[(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfamoyl]phenyl]propanamide Traditional Name: N-[3-methyl-4-[(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)sulfamoyl]phenyl]propionamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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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)CC)C=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S/c1-4-21(26)23-18-8-9-20(15(3)12-18)30(28,29)24-19-7-6-16-10-11-25(22(27)5-2)14-17(16)13-19/h6-9,12-13,24H,4-5,10-11,14H2,1-3H3,(H,23,26)