N-[(4-imidazol-1-ylphenyl)methyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-[(4-imidazol-1-ylphenyl)methyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-[(4-imidazol-1-ylphenyl)methyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[[4-(1-imidazolyl)phenyl]methyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-[(4-imidazol-1-ylphenyl)methyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-(4-imidazol-1-ylbenzyl)-4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C20H20N4O4S MolecularWeight: 412.4622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NCC3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

CS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NCC3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C20H20N4O4S/c1-29(26,27)24-13-19(28-18-5-3-2-4-17(18)24)20(25)22-12-15-6-8-16(9-7-15)23-11-10-21-14-23/h2-11,14,19H,12-13H2,1H3,(H,22,25)