N-[1-(1-adamantyl)propyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[1-(1-adamantyl)propyl]-3-nitro-benzenesulfonamide Openeye Name: N-[1-(1-adamantyl)propyl]-3-nitro-benzenesulfonamide CAS Name: N-[1-(1-adamantyl)propyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[1-(1-adamantyl)propyl]-3-nitrobenzenesulfonamide Traditional Name: N-[1-(1-adamantyl)propyl]-3-nitro-benzenesulfonamide Formula: C19H26N2O4S MolecularWeight: 378.48574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C12CC3CC(C1)CC(C3)C2)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CCC(C12CC3CC(C1)CC(C3)C2)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H26N2O4S/c1-2-18(19-10-13-6-14(11-19)8-15(7-13)12-19)20-26(24,25)17-5-3-4-16(9-17)21(22)23/h3-5,9,13-15,18,20H,2,6-8,10-12H2,1H3