methyl 4-[3-[3-azanylpropyl(isoquinolin-5-ylsulfonyl)amino]propyl]benzoate

Systemtic Name: methyl 4-[3-[3-azanylpropyl(isoquinolin-5-ylsulfonyl)amino]propyl]benzoate Openeye Name: methyl 4-[3-[3-aminopropyl(5-isoquinolylsulfonyl)amino]propyl]benzoate CAS Name: 4-[3-[3-aminopropyl(5-isoquinolinylsulfonyl)amino]propyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[3-aminopropyl(isoquinolin-5-ylsulfonyl)amino]propyl]benzoate Traditional Name: 4-[3-[3-aminopropyl(5-isoquinolylsulfonyl)amino]propyl]benzoic acid methyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCCN(CCCN)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCCN(CCCN)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C23H27N3O4S/c1-30-23(27)19-10-8-18(9-11-19)5-3-15-26(16-4-13-24)31(28,29)22-7-2-6-20-17-25-14-12-21(20)22/h2,6-12,14,17H,3-5,13,15-16,24H2,1H3