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

Systemtic Name: 6-chloranyl-N-[4-(cyanomethyl)phenyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 6-chloro-N-[4-(cyanomethyl)phenyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: 6-chloro-N-[4-(cyanomethyl)phenyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 6-chloro-N-[4-(cyanomethyl)phenyl]-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 6-chloro-N-[4-(cyanomethyl)phenyl]-4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C18H16ClN3O4S MolecularWeight: 405.85534

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(OC2=C1C=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

CS(=O)(=O)N1CC(OC2=C1C=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C18H16ClN3O4S/c1-27(24,25)22-11-17(26-16-7-4-13(19)10-15(16)22)18(23)21-14-5-2-12(3-6-14)8-9-20/h2-7,10,17H,8,11H2,1H3,(H,21,23)