3-[3-[3-azanylpropyl-[(4-methyl-1-oxidanylidene-2H-isoquinolin-5-yl)sulfonyl]amino]propyl]benzoic acid

Systemtic Name: 3-[3-[3-azanylpropyl-[(4-methyl-1-oxidanylidene-2H-isoquinolin-5-yl)sulfonyl]amino]propyl]benzoic acid Openeye Name: 3-[3-[3-aminopropyl-[(4-methyl-1-oxo-2H-isoquinolin-5-yl)sulfonyl]amino]propyl]benzoic acid CAS Name: 3-[3-[3-aminopropyl-[(4-methyl-1-oxo-2H-isoquinolin-5-yl)sulfonyl]amino]propyl]benzoic acid IUPAC Name: 3-[3-[3-aminopropyl-[(4-methyl-1-oxo-2H-isoquinolin-5-yl)sulfonyl]amino]propyl]benzoic acid Traditional Name: 3-[3-[3-aminopropyl-[(1-keto-4-methyl-2H-isoquinolin-5-yl)sulfonyl]amino]propyl]benzoic acid Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CNC(=O)C2=C1C(=CC=C2)S(=O)(=O)N(CCCC3=CC=CC(=C3)C(=O)O)CCCN

Isomeric SMILES

CC1=CNC(=O)C2=C1C(=CC=C2)S(=O)(=O)N(CCCC3=CC=CC(=C3)C(=O)O)CCCN

InChI

InChI=1S/C23H27N3O5S/c1-16-15-25-22(27)19-9-3-10-20(21(16)19)32(30,31)26(13-5-11-24)12-4-7-17-6-2-8-18(14-17)23(28)29/h2-3,6,8-10,14-15H,4-5,7,11-13,24H2,1H3,(H,25,27)(H,28,29)