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

Systemtic Name: N-[(4-fluorophenyl)methyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: 4-benzylsulfonyl-N-[(4-fluorophenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[(4-fluorophenyl)methyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: 4-benzylsulfonyl-N-[(4-fluorophenyl)methyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: 4-benzylsulfonyl-N-(4-fluorobenzyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C23H21FN2O4S MolecularWeight: 440.487243

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2N1S(=O)(=O)CC3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1C(OC2=CC=CC=C2N1S(=O)(=O)CC3=CC=CC=C3)C(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C23H21FN2O4S/c24-19-12-10-17(11-13-19)14-25-23(27)22-15-26(20-8-4-5-9-21(20)30-22)31(28,29)16-18-6-2-1-3-7-18/h1-13,22H,14-16H2,(H,25,27)