N-(4-acetamido-3-oxidanyl-phenyl)-2-methyl-3-(1-methylisoquinolin-4-yl)sulfonyl-butanamide

Systemtic Name: N-(4-acetamido-3-oxidanyl-phenyl)-2-methyl-3-(1-methylisoquinolin-4-yl)sulfonyl-butanamide Openeye Name: N-(4-acetamido-3-hydroxy-phenyl)-2-methyl-3-[(1-methyl-4-isoquinolyl)sulfonyl]butanamide CAS Name: N-(4-acetamido-3-hydroxyphenyl)-2-methyl-3-[(1-methyl-4-isoquinolinyl)sulfonyl]butanamide IUPAC Name: N-(4-acetamido-3-hydroxyphenyl)-2-methyl-3-(1-methylisoquinolin-4-yl)sulfonylbutanamide Traditional Name: N-(4-acetamido-3-hydroxy-phenyl)-2-methyl-3-[(1-methyl-4-isoquinolyl)sulfonyl]butyramide Formula: C23H25N3O5S MolecularWeight: 455.5267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C2=CC=CC=C12)S(=O)(=O)C(C)C(C)C(=O)NC3=CC(=C(C=C3)NC(=O)C)O

Isomeric SMILES

CC1=NC=C(C2=CC=CC=C12)S(=O)(=O)C(C)C(C)C(=O)NC3=CC(=C(C=C3)NC(=O)C)O

InChI

InChI=1S/C23H25N3O5S/c1-13(23(29)26-17-9-10-20(21(28)11-17)25-16(4)27)15(3)32(30,31)22-12-24-14(2)18-7-5-6-8-19(18)22/h5-13,15,28H,1-4H3,(H,25,27)(H,26,29)