methyl 2-[[2-(1H-imidazol-5-ylmethylamino)phenyl]methyl-methylsulfonyl-amino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[2-(1H-imidazol-5-ylmethylamino)phenyl]methyl-methylsulfonyl-amino]-3-phenyl-propanoate Openeye Name: methyl 2-[[2-(1H-imidazol-5-ylmethylamino)phenyl]methyl-methylsulfonyl-amino]-3-phenyl-propanoate CAS Name: 2-[[2-(1H-imidazol-5-ylmethylamino)phenyl]methyl-methylsulfonylamino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-(1H-imidazol-5-ylmethylamino)phenyl]methyl-methylsulfonylamino]-3-phenylpropanoate Traditional Name: 2-[[2-(1H-imidazol-5-ylmethylamino)benzyl]-mesyl-amino]-3-phenyl-propionic acid methyl ester Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)N(CC2=CC=CC=C2NCC3=CN=CN3)S(=O)(=O)C

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)N(CC2=CC=CC=C2NCC3=CN=CN3)S(=O)(=O)C

InChI

InChI=1S/C22H26N4O4S/c1-30-22(27)21(12-17-8-4-3-5-9-17)26(31(2,28)29)15-18-10-6-7-11-20(18)24-14-19-13-23-16-25-19/h3-11,13,16,21,24H,12,14-15H2,1-2H3,(H,23,25)