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

Systemtic Name: S-[2-[(4-phenoxyphenyl)sulfonyl-(2-pyrrolidin-1-ylethyl)amino]propyl] ethanethioate Openeye Name: S-[2-[(4-phenoxyphenyl)sulfonyl-(2-pyrrolidin-1-ylethyl)amino]propyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(4-phenoxyphenyl)sulfonyl-[2-(1-pyrrolidinyl)ethyl]amino]propyl] ester IUPAC Name: S-[2-[(4-phenoxyphenyl)sulfonyl-(2-pyrrolidin-1-ylethyl)amino]propyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[(4-phenoxyphenyl)sulfonyl-(2-pyrrolidinoethyl)amino]propyl] ester Formula: C23H30N2O4S2 MolecularWeight: 462.6253

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)N(CCN1CCCC1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(CSC(=O)C)N(CCN1CCCC1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C23H30N2O4S2/c1-19(18-30-20(2)26)25(17-16-24-14-6-7-15-24)31(27,28)23-12-10-22(11-13-23)29-21-8-4-3-5-9-21/h3-5,8-13,19H,6-7,14-18H2,1-2H3