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

Systemtic Name: N-[4-(1-adamantyl)phenyl]-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-[4-(1-adamantyl)phenyl]-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-[4-(1-adamantyl)phenyl]-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-4-ethylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-[4-(1-adamantyl)phenyl]-4-esyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C27H32N2O4S MolecularWeight: 480.61898

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCS(=O)(=O)N1CC(OC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H32N2O4S/c1-2-34(31,32)29-17-25(33-24-6-4-3-5-23(24)29)26(30)28-22-9-7-21(8-10-22)27-14-18-11-19(15-27)13-20(12-18)16-27/h3-10,18-20,25H,2,11-17H2,1H3,(H,28,30)