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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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