ethyl 2-[[4-(1H-imidazo[4,5-c]pyridin-4-ylmethyl)phenyl]sulfonyl-methyl-amino]-4-methyl-pentanoate

Systemtic Name: ethyl 2-[[4-(1H-imidazo[4,5-c]pyridin-4-ylmethyl)phenyl]sulfonyl-methyl-amino]-4-methyl-pentanoate Openeye Name: ethyl 2-[[4-(1H-imidazo[4,5-c]pyridin-4-ylmethyl)phenyl]sulfonyl-methyl-amino]-4-methyl-pentanoate CAS Name: 2-[[4-(1H-imidazo[4,5-c]pyridin-4-ylmethyl)phenyl]sulfonyl-methylamino]-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-(1H-imidazo[4,5-c]pyridin-4-ylmethyl)phenyl]sulfonyl-methylamino]-4-methylpentanoate Traditional Name: 2-[[4-(1H-imidazo[4,5-c]pyridin-4-ylmethyl)phenyl]sulfonyl-methyl-amino]-4-methyl-valeric acid ethyl ester Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C)C)N(C)S(=O)(=O)C1=CC=C(C=C1)CC2=NC=CC3=C2N=CN3

Isomeric SMILES

CCOC(=O)C(CC(C)C)N(C)S(=O)(=O)C1=CC=C(C=C1)CC2=NC=CC3=C2N=CN3

InChI

InChI=1S/C22H28N4O4S/c1-5-30-22(27)20(12-15(2)3)26(4)31(28,29)17-8-6-16(7-9-17)13-19-21-18(10-11-23-19)24-14-25-21/h6-11,14-15,20H,5,12-13H2,1-4H3,(H,24,25)