10-methylsulfonylsulfanyldecyl 4-azanylbenzoate

Systemtic Name: 10-methylsulfonylsulfanyldecyl 4-azanylbenzoate Openeye Name: 10-methylsulfonylsulfanyldecyl 4-aminobenzoate CAS Name: 4-aminobenzoic acid 10-(methylsulfonylthio)decyl ester IUPAC Name: 10-methylsulfonylsulfanyldecyl 4-aminobenzoate Traditional Name: 4-aminobenzoic acid 10-(mesylthio)decyl ester Formula: C18H29NO4S2 MolecularWeight: 387.55716

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)SCCCCCCCCCCOC(=O)C1=CC=C(C=C1)N

Isomeric SMILES

CS(=O)(=O)SCCCCCCCCCCOC(=O)C1=CC=C(C=C1)N

InChI

InChI=1S/C18H29NO4S2/c1-25(21,22)24-15-9-7-5-3-2-4-6-8-14-23-18(20)16-10-12-17(19)13-11-16/h10-13H,2-9,14-15,19H2,1H3