N-(1-adamantyl)-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-(1-adamantyl)-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-(1-adamantyl)-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-(1-adamantyl)-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-(1-adamantyl)-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-(1-adamantyl)-4-methyl-3-nitro-benzenesulfonamide Formula: C17H22N2O4S MolecularWeight: 350.43258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC23CC4CC(C2)CC(C4)C3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O4S/c1-11-2-3-15(7-16(11)19(20)21)24(22,23)18-17-8-12-4-13(9-17)6-14(5-12)10-17/h2-3,7,12-14,18H,4-6,8-10H2,1H3