ethyl 4-[4-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[2-(isopentylamino)-2-oxo-ethyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[2-(3-methylbutylamino)-2-oxoethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-(3-methylbutylamino)-2-oxoethyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[2-(isoamylamino)-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)NCCC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O5S/c1-4-28-20(25)17-5-7-18(8-6-17)29(26,27)23-13-11-22(12-14-23)15-19(24)21-10-9-16(2)3/h5-8,16H,4,9-15H2,1-3H3,(H,21,24)