[azanyl(isoquinolin-6-yl)amino]-(3-carboxy-4-oxidanyl-phenyl)sulfonyl-ethanoyl-(3-ethoxy-4-propan-2-yloxy-phenyl)azanium

Systemtic Name: [azanyl(isoquinolin-6-yl)amino]-(3-carboxy-4-oxidanyl-phenyl)sulfonyl-ethanoyl-(3-ethoxy-4-propan-2-yloxy-phenyl)azanium Openeye Name: acetyl-[amino(6-isoquinolyl)amino]-(3-carboxy-4-hydroxy-phenyl)sulfonyl-(3-ethoxy-4-isopropoxy-phenyl)ammonium CAS Name: acetyl-[amino(6-isoquinolinyl)amino]-(3-carboxy-4-hydroxyphenyl)sulfonyl-(3-ethoxy-4-propan-2-yloxyphenyl)ammonium IUPAC Name: acetyl-[amino(isoquinolin-6-yl)amino]-(3-carboxy-4-hydroxyphenyl)sulfonyl-(3-ethoxy-4-propan-2-yloxyphenyl)azanium Traditional Name: acetyl-[amino(6-isoquinolyl)amino]-(3-carboxy-4-hydroxy-phenyl)sulfonyl-(3-ethoxy-4-isopropoxy-phenyl)ammonium Formula: C29H31N4O8S+ MolecularWeight: 595.64344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)[N+](C(=O)C)(N(C2=CC3=C(C=C2)C=NC=C3)N)S(=O)(=O)C4=CC(=C(C=C4)O)C(=O)O)OC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)[N+](C(=O)C)(N(C2=CC3=C(C=C2)C=NC=C3)N)S(=O)(=O)C4=CC(=C(C=C4)O)C(=O)O)OC(C)C

InChI

InChI=1S/C29H30N4O8S/c1-5-40-28-15-23(8-11-27(28)41-18(2)3)33(19(4)34,32(30)22-7-6-21-17-31-13-12-20(21)14-22)42(38,39)24-9-10-26(35)25(16-24)29(36)37/h6-18H,5,30H2,1-4H3,(H-,35,36,37)/p+1