4-chloranyl-N-hexadecyl-3-nitro-N-propan-2-yl-benzenesulfonamide

Systemtic Name: 4-chloranyl-N-hexadecyl-3-nitro-N-propan-2-yl-benzenesulfonamide Openeye Name: 4-chloro-N-hexadecyl-N-isopropyl-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-hexadecyl-3-nitro-N-propan-2-ylbenzenesulfonamide IUPAC Name: 4-chloro-N-hexadecyl-3-nitro-N-propan-2-ylbenzenesulfonamide Traditional Name: N-cetyl-4-chloro-N-isopropyl-3-nitro-benzenesulfonamide Formula: C25H43ClN2O4S MolecularWeight: 503.13792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(C(C)C)S(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCN(C(C)C)S(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H43ClN2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27(22(2)3)33(31,32)23-18-19-24(26)25(21-23)28(29)30/h18-19,21-22H,4-17,20H2,1-3H3