4-[3-(4-azanyl-6,7-dimethyl-2-propyl-imidazo[4,5-c]pyridin-1-yl)propylsulfonyl]benzoic acid

Systemtic Name: 4-[3-(4-azanyl-6,7-dimethyl-2-propyl-imidazo[4,5-c]pyridin-1-yl)propylsulfonyl]benzoic acid Openeye Name: 4-[3-(4-amino-6,7-dimethyl-2-propyl-imidazo[4,5-c]pyridin-1-yl)propylsulfonyl]benzoic acid CAS Name: 4-[3-(4-amino-6,7-dimethyl-2-propyl-1-imidazo[4,5-c]pyridinyl)propylsulfonyl]benzoic acid IUPAC Name: 4-[3-(4-amino-6,7-dimethyl-2-propylimidazo[4,5-c]pyridin-1-yl)propylsulfonyl]benzoic acid Traditional Name: 4-[3-(4-amino-6,7-dimethyl-2-propyl-imidazo[4,5-c]pyridin-1-yl)propylsulfonyl]benzoic acid Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N=C(C(=C2N1CCCS(=O)(=O)C3=CC=C(C=C3)C(=O)O)C)C)N

Isomeric SMILES

CCCC1=NC2=C(N=C(C(=C2N1CCCS(=O)(=O)C3=CC=C(C=C3)C(=O)O)C)C)N

InChI

InChI=1S/C21H26N4O4S/c1-4-6-17-24-18-19(13(2)14(3)23-20(18)22)25(17)11-5-12-30(28,29)16-9-7-15(8-10-16)21(26)27/h7-10H,4-6,11-12H2,1-3H3,(H2,22,23)(H,26,27)