methyl 3-azanyl-4-hexadecylsulfonyl-benzoate

Systemtic Name: methyl 3-azanyl-4-hexadecylsulfonyl-benzoate Openeye Name: methyl 3-amino-4-hexadecylsulfonyl-benzoate CAS Name: 3-amino-4-hexadecylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 3-amino-4-hexadecylsulfonylbenzoate Traditional Name: 3-amino-4-cetylsulfonyl-benzoic acid methyl ester Formula: C24H41NO4S MolecularWeight: 439.65164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)C1=C(C=C(C=C1)C(=O)OC)N

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)C1=C(C=C(C=C1)C(=O)OC)N

InChI

InChI=1S/C24H41NO4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-30(27,28)23-18-17-21(20-22(23)25)24(26)29-2/h17-18,20H,3-16,19,25H2,1-2H3