3-(2-dodecylphenyl)-3-ethylsulfanyl-propanoic acid; N-(phenylsulfonyl)methanamide

Systemtic Name: 3-(2-dodecylphenyl)-3-ethylsulfanyl-propanoic acid; N-(phenylsulfonyl)methanamide Openeye Name: N-(benzenesulfonyl)formamide; 3-(2-dodecylphenyl)-3-ethylsulfanyl-propanoic acid CAS Name: N-(benzenesulfonyl)formamide; 3-(2-dodecylphenyl)-3-(ethylthio)propanoic acid IUPAC Name: N-(benzenesulfonyl)formamide; 3-(2-dodecylphenyl)-3-ethylsulfanylpropanoic acid Traditional Name: N-besylformamide; 3-(ethylthio)-3-(2-laurylphenyl)propionic acid Formula: C30H45NO5S2 MolecularWeight: 563.812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1C(CC(=O)O)SCC.C1=CC=C(C=C1)S(=O)(=O)NC=O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1C(CC(=O)O)SCC.C1=CC=C(C=C1)S(=O)(=O)NC=O

InChI

InChI=1S/C23H38O2S.C7H7NO3S/c1-3-5-6-7-8-9-10-11-12-13-16-20-17-14-15-18-21(20)22(26-4-2)19-23(24)25;9-6-8-12(10,11)7-4-2-1-3-5-7/h14-15,17-18,22H,3-13,16,19H2,1-2H3,(H,24,25);1-6H,(H,8,9)