ethyl 4-[4-[(1S,2S)-2-methylcyclopropyl]carbonylpiperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[(1S,2S)-2-methylcyclopropyl]carbonylpiperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[(1S,2S)-2-methylcyclopropanecarbonyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[[(1S,2S)-2-methylcyclopropyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(1S,2S)-2-methylcyclopropanecarbonyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[(1S,2S)-2-methylcyclopropanecarbonyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C18H24N2O5S MolecularWeight: 380.45856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3CC3C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)[C@H]3C[C@@H]3C

InChI

InChI=1S/C18H24N2O5S/c1-3-25-18(22)14-4-6-15(7-5-14)26(23,24)20-10-8-19(9-11-20)17(21)16-12-13(16)2/h4-7,13,16H,3,8-12H2,1-2H3/t13-,16-/m0/s1