3-(1-azanylisoquinolin-7-yl)-3-chloranyl-2-oxidanyl-N-[4-(2-sulfamoylphenyl)phenyl]butanamide

Systemtic Name: 3-(1-azanylisoquinolin-7-yl)-3-chloranyl-2-oxidanyl-N-[4-(2-sulfamoylphenyl)phenyl]butanamide Openeye Name: 3-(1-amino-7-isoquinolyl)-3-chloro-2-hydroxy-N-[4-(2-sulfamoylphenyl)phenyl]butanamide CAS Name: 3-(1-amino-7-isoquinolinyl)-3-chloro-2-hydroxy-N-[4-(2-sulfamoylphenyl)phenyl]butanamide IUPAC Name: 3-(1-aminoisoquinolin-7-yl)-3-chloro-2-hydroxy-N-[4-(2-sulfamoylphenyl)phenyl]butanamide Traditional Name: 3-(1-amino-7-isoquinolyl)-3-chloro-2-hydroxy-N-[4-(2-sulfamoylphenyl)phenyl]butyramide Formula: C25H23ClN4O4S MolecularWeight: 510.99252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C=CN=C2N)(C(C(=O)NC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)N)O)Cl

Isomeric SMILES

CC(C1=CC2=C(C=C1)C=CN=C2N)(C(C(=O)NC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)N)O)Cl

InChI

InChI=1S/C25H23ClN4O4S/c1-25(26,17-9-6-16-12-13-29-23(27)20(16)14-17)22(31)24(32)30-18-10-7-15(8-11-18)19-4-2-3-5-21(19)35(28,33)34/h2-14,22,31H,1H3,(H2,27,29)(H,30,32)(H2,28,33,34)