ethyl 2-[[4-(imidazo[4,5-c]pyridin-3-ylmethyl)phenyl]sulfonyl-methyl-amino]-4-methyl-pentanoate

Systemtic Name: ethyl 2-[[4-(imidazo[4,5-c]pyridin-3-ylmethyl)phenyl]sulfonyl-methyl-amino]-4-methyl-pentanoate Openeye Name: ethyl 2-[[4-(imidazo[4,5-c]pyridin-3-ylmethyl)phenyl]sulfonyl-methyl-amino]-4-methyl-pentanoate CAS Name: 2-[[4-(3-imidazo[4,5-c]pyridinylmethyl)phenyl]sulfonyl-methylamino]-4-methylpentanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-(imidazo[4,5-c]pyridin-3-ylmethyl)phenyl]sulfonyl-methylamino]-4-methylpentanoate Traditional Name: 2-[[4-(imidazo[4,5-c]pyridin-3-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)CN2C=NC3=C2C=NC=C3

Isomeric SMILES

CCOC(=O)C(CC(C)C)N(C)S(=O)(=O)C1=CC=C(C=C1)CN2C=NC3=C2C=NC=C3

InChI

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