methyl 4-[4-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 4-[4-[2-(butan-2-ylamino)-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 4-[4-[2-oxo-2-(sec-butylamino)ethyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[2-(butan-2-ylamino)-2-oxoethyl]-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[2-keto-2-(sec-butylamino)ethyl]piperazino]sulfonylbenzoic acid methyl ester Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCC(C)NC(=O)CN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H27N3O5S/c1-4-14(2)19-17(22)13-20-9-11-21(12-10-20)27(24,25)16-7-5-15(6-8-16)18(23)26-3/h5-8,14H,4,9-13H2,1-3H3,(H,19,22)