ethyl 4-[4-[(2R)-1-(dimethylamino)-1-oxidanylidene-propan-2-yl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(2R)-1-(dimethylamino)-1-oxidanylidene-propan-2-yl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[(1R)-2-(dimethylamino)-1-methyl-2-oxo-ethyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2R)-1-(dimethylamino)-1-oxopropan-2-yl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[(1R)-2-(dimethylamino)-2-keto-1-methyl-ethyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O5S/c1-5-26-18(23)15-6-8-16(9-7-15)27(24,25)21-12-10-20(11-13-21)14(2)17(22)19(3)4/h6-9,14H,5,10-13H2,1-4H3/t14-/m1/s1