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

Systemtic Name: N-[4-(1-adamantyl)phenyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-[4-(1-adamantyl)phenyl]-4-benzylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[4-(1-adamantyl)phenyl]-4-(phenylmethyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-4-benzylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-[4-(1-adamantyl)phenyl]-4-benzylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C32H34N2O4S MolecularWeight: 542.68836

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)C5CN(C6=CC=CC=C6O5)S(=O)(=O)CC7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)C5CN(C6=CC=CC=C6O5)S(=O)(=O)CC7=CC=CC=C7

InChI

InChI=1S/C32H34N2O4S/c35-31(33-27-12-10-26(11-13-27)32-17-23-14-24(18-32)16-25(15-23)19-32)30-20-34(28-8-4-5-9-29(28)38-30)39(36,37)21-22-6-2-1-3-7-22/h1-13,23-25,30H,14-21H2,(H,33,35)