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

Systemtic Name: ethyl 4-[4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxo-ethyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-keto-ethyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C20H29N3O5S MolecularWeight: 423.52636

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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)C3CC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)N[C@H](C)C3CC3

InChI

InChI=1S/C20H29N3O5S/c1-3-28-20(25)17-6-8-18(9-7-17)29(26,27)23-12-10-22(11-13-23)14-19(24)21-15(2)16-4-5-16/h6-9,15-16H,3-5,10-14H2,1-2H3,(H,21,24)/t15-/m1/s1