S-[2-[(4-butoxyphenyl)sulfonyl-pentyl-amino]propyl] ethanethioate

Systemtic Name: S-[2-[(4-butoxyphenyl)sulfonyl-pentyl-amino]propyl] ethanethioate Openeye Name: S-[2-[(4-butoxyphenyl)sulfonyl-pentyl-amino]propyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(4-butoxyphenyl)sulfonyl-pentylamino]propyl] ester IUPAC Name: S-[2-[(4-butoxyphenyl)sulfonyl-pentylamino]propyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[amyl-(4-butoxyphenyl)sulfonyl-amino]propyl] ester Formula: C20H33NO4S2 MolecularWeight: 415.61032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C(C)CSC(=O)C)S(=O)(=O)C1=CC=C(C=C1)OCCCC

Isomeric SMILES

CCCCCN(C(C)CSC(=O)C)S(=O)(=O)C1=CC=C(C=C1)OCCCC

InChI

InChI=1S/C20H33NO4S2/c1-5-7-9-14-21(17(3)16-26-18(4)22)27(23,24)20-12-10-19(11-13-20)25-15-8-6-2/h10-13,17H,5-9,14-16H2,1-4H3