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

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

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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)C)C=C2

Isomeric SMILES

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

InChI

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