N-[3-(1-adamantyloxy)propyl]-6-methyl-3-oxidanylidene-4H-1,4-benzoxazine-7-sulfonamide

Systemtic Name: N-[3-(1-adamantyloxy)propyl]-6-methyl-3-oxidanylidene-4H-1,4-benzoxazine-7-sulfonamide Openeye Name: N-[3-(1-adamantyloxy)propyl]-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide CAS Name: N-[3-(1-adamantyloxy)propyl]-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide IUPAC Name: N-[3-(1-adamantyloxy)propyl]-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide Traditional Name: N-[3-(1-adamantyloxy)propyl]-3-keto-6-methyl-4H-1,4-benzoxazine-7-sulfonamide Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)NCCCOC34CC5CC(C3)CC(C5)C4)OCC(=O)N2

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)NCCCOC34CC5CC(C3)CC(C5)C4)OCC(=O)N2

InChI

InChI=1S/C22H30N2O5S/c1-14-5-18-19(28-13-21(25)24-18)9-20(14)30(26,27)23-3-2-4-29-22-10-15-6-16(11-22)8-17(7-15)12-22/h5,9,15-17,23H,2-4,6-8,10-13H2,1H3,(H,24,25)