6-chloranyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: 6-chloranyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 6-chloro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 6-chloro-N-[[4-(1-imidazolylmethyl)phenyl]methyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 6-chloro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 6-chloro-N-[4-(imidazol-1-ylmethyl)benzyl]-4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H21ClN4O4S MolecularWeight: 460.93384

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(OC2=C1C=C(C=C2)Cl)C(=O)NCC3=CC=C(C=C3)CN4C=CN=C4

Isomeric SMILES

CS(=O)(=O)N1CC(OC2=C1C=C(C=C2)Cl)C(=O)NCC3=CC=C(C=C3)CN4C=CN=C4

InChI

InChI=1S/C21H21ClN4O4S/c1-31(28,29)26-13-20(30-19-7-6-17(22)10-18(19)26)21(27)24-11-15-2-4-16(5-3-15)12-25-9-8-23-14-25/h2-10,14,20H,11-13H2,1H3,(H,24,27)