methyl 3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]propanoate

Systemtic Name: methyl 3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]propanoate Openeye Name: methyl 3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]propanoate CAS Name: 3-[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]propanoate Traditional Name: 3-[4-(4-tert-butylphenyl)sulfonylpiperazino]propionic acid methyl ester Formula: C18H28N2O4S MolecularWeight: 368.49092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCC(=O)OC

InChI

InChI=1S/C18H28N2O4S/c1-18(2,3)15-5-7-16(8-6-15)25(22,23)20-13-11-19(12-14-20)10-9-17(21)24-4/h5-8H,9-14H2,1-4H3