N-[(1S)-1-(1-adamantyl)ethyl]-6-methyl-3-oxidanylidene-4H-1,4-benzoxazine-7-sulfonamide

Systemtic Name: N-[(1S)-1-(1-adamantyl)ethyl]-6-methyl-3-oxidanylidene-4H-1,4-benzoxazine-7-sulfonamide Openeye Name: N-[(1S)-1-(1-adamantyl)ethyl]-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide CAS Name: N-[(1S)-1-(1-adamantyl)ethyl]-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide IUPAC Name: N-[(1S)-1-(1-adamantyl)ethyl]-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide Traditional Name: N-[(1S)-1-(1-adamantyl)ethyl]-3-keto-6-methyl-4H-1,4-benzoxazine-7-sulfonamide Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)NC(C)C34CC5CC(C3)CC(C5)C4)OCC(=O)N2

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)N[C@@H](C)C34CC5CC(C3)CC(C5)C4)OCC(=O)N2

InChI

InChI=1S/C21H28N2O4S/c1-12-3-17-18(27-11-20(24)22-17)7-19(12)28(25,26)23-13(2)21-8-14-4-15(9-21)6-16(5-14)10-21/h3,7,13-16,23H,4-6,8-11H2,1-2H3,(H,22,24)/t13-,14?,15?,16?,21?/m0/s1