N-[4-(cyanomethyl)phenyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-benzylsulfonyl-N-[4-(cyanomethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[4-(cyanomethyl)phenyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-benzylsulfonyl-N-[4-(cyanomethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-benzylsulfonyl-N-[4-(cyanomethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2N1S(=O)(=O)CC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)CC#N

Isomeric SMILES

C1C(OC2=CC=CC=C2N1S(=O)(=O)CC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)CC#N

InChI

InChI=1S/C24H21N3O4S/c25-15-14-18-10-12-20(13-11-18)26-24(28)23-16-27(21-8-4-5-9-22(21)31-23)32(29,30)17-19-6-2-1-3-7-19/h1-13,23H,14,16-17H2,(H,26,28)