S-[2-[(4-butoxyphenyl)sulfonyl-(2-pyrrolidin-1-ylethyl)amino]propyl] ethanethioate

Systemtic Name: S-[2-[(4-butoxyphenyl)sulfonyl-(2-pyrrolidin-1-ylethyl)amino]propyl] ethanethioate Openeye Name: S-[2-[(4-butoxyphenyl)sulfonyl-(2-pyrrolidin-1-ylethyl)amino]propyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(4-butoxyphenyl)sulfonyl-[2-(1-pyrrolidinyl)ethyl]amino]propyl] ester IUPAC Name: S-[2-[(4-butoxyphenyl)sulfonyl-(2-pyrrolidin-1-ylethyl)amino]propyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[(4-butoxyphenyl)sulfonyl-(2-pyrrolidinoethyl)amino]propyl] ester Formula: C21H34N2O4S2 MolecularWeight: 442.63566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)N(CCN2CCCC2)C(C)CSC(=O)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)N(CCN2CCCC2)C(C)CSC(=O)C

InChI

InChI=1S/C21H34N2O4S2/c1-4-5-16-27-20-8-10-21(11-9-20)29(25,26)23(18(2)17-28-19(3)24)15-14-22-12-6-7-13-22/h8-11,18H,4-7,12-17H2,1-3H3