N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-(1-adamantyl)thiazol-2-yl]-3-nitro-benzenesulfonamide CAS Name: N-[4-(1-adamantyl)-2-thiazolyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-(1-adamantyl)thiazol-2-yl]-3-nitro-benzenesulfonamide Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NS(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NS(=O)(=O)C5=CC=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4S2/c23-22(24)15-2-1-3-16(7-15)28(25,26)21-18-20-17(11-27-18)19-8-12-4-13(9-19)6-14(5-12)10-19/h1-3,7,11-14H,4-6,8-10H2,(H,20,21)