4-nitro-N-oct-1-ynyl-N-(phenylmethyl)benzenesulfonamide

Systemtic Name: 4-nitro-N-oct-1-ynyl-N-(phenylmethyl)benzenesulfonamide Openeye Name: N-benzyl-4-nitro-N-oct-1-ynyl-benzenesulfonamide CAS Name: 4-nitro-N-oct-1-ynyl-N-(phenylmethyl)benzenesulfonamide IUPAC Name: N-benzyl-4-nitro-N-oct-1-ynylbenzenesulfonamide Traditional Name: N-benzyl-4-nitro-N-oct-1-ynyl-benzenesulfonamide Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC#CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O4S/c1-2-3-4-5-6-10-17-22(18-19-11-8-7-9-12-19)28(26,27)21-15-13-20(14-16-21)23(24)25/h7-9,11-16H,2-6,18H2,1H3