2-[(1-azanylisoquinolin-7-yl)amino]-3-methyl-N-[4-(2-methylsulfonylphenyl)phenyl]butanamide

Systemtic Name: 2-[(1-azanylisoquinolin-7-yl)amino]-3-methyl-N-[4-(2-methylsulfonylphenyl)phenyl]butanamide Openeye Name: 2-[(1-amino-7-isoquinolyl)amino]-3-methyl-N-[4-(2-methylsulfonylphenyl)phenyl]butanamide CAS Name: 2-[(1-amino-7-isoquinolinyl)amino]-3-methyl-N-[4-(2-methylsulfonylphenyl)phenyl]butanamide IUPAC Name: 2-[(1-aminoisoquinolin-7-yl)amino]-3-methyl-N-[4-(2-methylsulfonylphenyl)phenyl]butanamide Traditional Name: 2-[(1-amino-7-isoquinolyl)amino]-N-[4-(2-mesylphenyl)phenyl]-3-methyl-butyramide Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)C)NC3=CC4=C(C=C3)C=CN=C4N

Isomeric SMILES

CC(C)C(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)C)NC3=CC4=C(C=C3)C=CN=C4N

InChI

InChI=1S/C27H28N4O3S/c1-17(2)25(30-21-13-10-19-14-15-29-26(28)23(19)16-21)27(32)31-20-11-8-18(9-12-20)22-6-4-5-7-24(22)35(3,33)34/h4-17,25,30H,1-3H3,(H2,28,29)(H,31,32)