2-[[4-(1H-imidazo[4,5-c]pyridin-4-ylmethyl)phenyl]sulfonyl-prop-2-enyl-amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[4-(1H-imidazo[4,5-c]pyridin-4-ylmethyl)phenyl]sulfonyl-prop-2-enyl-amino]-4-methyl-pentanoic acid Openeye Name: 2-[allyl-[4-(1H-imidazo[4,5-c]pyridin-4-ylmethyl)phenyl]sulfonyl-amino]-4-methyl-pentanoic acid CAS Name: 2-[[4-(1H-imidazo[4,5-c]pyridin-4-ylmethyl)phenyl]sulfonyl-prop-2-enylamino]-4-methylpentanoic acid IUPAC Name: 2-[[4-(1H-imidazo[4,5-c]pyridin-4-ylmethyl)phenyl]sulfonyl-prop-2-enylamino]-4-methylpentanoic acid Traditional Name: 2-[allyl-[4-(1H-imidazo[4,5-c]pyridin-4-ylmethyl)phenyl]sulfonyl-amino]-4-methyl-valeric acid Formula: C22H26N4O4S MolecularWeight: 442.53124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4S/c1-4-11-26(20(22(27)28)12-15(2)3)31(29,30)17-7-5-16(6-8-17)13-19-21-18(9-10-23-19)24-14-25-21/h4-10,14-15,20H,1,11-13H2,2-3H3,(H,24,25)(H,27,28)