N-hexan-2-yl-2-nitro-N-phenethyl-benzenesulfonamide

Systemtic Name: N-hexan-2-yl-2-nitro-N-phenethyl-benzenesulfonamide Openeye Name: N-(1-methylpentyl)-2-nitro-N-phenethyl-benzenesulfonamide CAS Name: N-hexan-2-yl-2-nitro-N-phenethylbenzenesulfonamide IUPAC Name: N-hexan-2-yl-2-nitro-N-phenethylbenzenesulfonamide Traditional Name: N-(1-methylpentyl)-2-nitro-N-phenethyl-benzenesulfonamide Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)N(CCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCCCC(C)N(CCC1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C20H26N2O4S/c1-3-4-10-17(2)21(16-15-18-11-6-5-7-12-18)27(25,26)20-14-9-8-13-19(20)22(23)24/h5-9,11-14,17H,3-4,10,15-16H2,1-2H3