ethyl 4-[4-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[2-[[(1R)-1,2-dimethylpropyl]amino]-2-oxo-ethyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[2-[[(1R)-1,2-dimethylpropyl]amino]-2-keto-ethyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C20H31N3O5S MolecularWeight: 425.54224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NC(C)C(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)N[C@H](C)C(C)C

InChI

InChI=1S/C20H31N3O5S/c1-5-28-20(25)17-6-8-18(9-7-17)29(26,27)23-12-10-22(11-13-23)14-19(24)21-16(4)15(2)3/h6-9,15-16H,5,10-14H2,1-4H3,(H,21,24)/t16-/m1/s1