S-[2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]propyl] ethanethioate

Systemtic Name: S-[2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]propyl] ethanethioate Openeye Name: S-[2-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]propyl] ethanethioate CAS Name: ethanethioic acid S-[2-[(4-methoxyphenyl)sulfonyl-(3-pyridinylmethyl)amino]propyl] ester IUPAC Name: S-[2-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]propyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[(4-methoxyphenyl)sulfonyl-(3-pyridylmethyl)amino]propyl] ester Formula: C18H22N2O4S2 MolecularWeight: 394.50828

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)N(CC1=CN=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(CSC(=O)C)N(CC1=CN=CC=C1)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H22N2O4S2/c1-14(13-25-15(2)21)20(12-16-5-4-10-19-11-16)26(22,23)18-8-6-17(24-3)7-9-18/h4-11,14H,12-13H2,1-3H3