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

Systemtic Name: 4-ethylsulfonyl-N-[(2-imidazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-ethylsulfonyl-N-[(2-imidazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 4-ethylsulfonyl-N-[[2-(1-imidazolyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-ethylsulfonyl-N-[(2-imidazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-esyl-N-(2-imidazol-1-ylbenzyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NCC3=CC=CC=C3N4C=CN=C4

Isomeric SMILES

CCS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NCC3=CC=CC=C3N4C=CN=C4

InChI

InChI=1S/C21H22N4O4S/c1-2-30(27,28)25-14-20(29-19-10-6-5-9-18(19)25)21(26)23-13-16-7-3-4-8-17(16)24-12-11-22-15-24/h3-12,15,20H,2,13-14H2,1H3,(H,23,26)