N-(1-adamantyl)-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N-(1-adamantyl)-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-(1-adamantyl)-4-benzylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-(1-adamantyl)-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-(1-adamantyl)-4-benzylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-(1-adamantyl)-4-benzylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C26H30N2O4S MolecularWeight: 466.5924

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4CN(C5=CC=CC=C5O4)S(=O)(=O)CC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4CN(C5=CC=CC=C5O4)S(=O)(=O)CC6=CC=CC=C6

InChI

InChI=1S/C26H30N2O4S/c29-25(27-26-13-19-10-20(14-26)12-21(11-19)15-26)24-16-28(22-8-4-5-9-23(22)32-24)33(30,31)17-18-6-2-1-3-7-18/h1-9,19-21,24H,10-17H2,(H,27,29)