N-hexadecyl-N-methyl-4-methylsulfonyl-2-nitro-aniline

Systemtic Name: N-hexadecyl-N-methyl-4-methylsulfonyl-2-nitro-aniline Openeye Name: N-hexadecyl-N-methyl-4-methylsulfonyl-2-nitro-aniline CAS Name: N-hexadecyl-N-methyl-4-methylsulfonyl-2-nitroaniline IUPAC Name: N-hexadecyl-N-methyl-4-methylsulfonyl-2-nitroaniline Traditional Name: cetyl-(4-mesyl-2-nitro-phenyl)-methyl-amine Formula: C24H42N2O4S MolecularWeight: 454.66628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H42N2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25(2)23-19-18-22(31(3,29)30)21-24(23)26(27)28/h18-19,21H,4-17,20H2,1-3H3