ethyl 4-[4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C23H33N3O5S MolecularWeight: 463.59022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NCCC3=CCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC(=O)NCCC3=CCCCC3

InChI

InChI=1S/C23H33N3O5S/c1-2-31-23(28)20-8-10-21(11-9-20)32(29,30)26-16-14-25(15-17-26)18-22(27)24-13-12-19-6-4-3-5-7-19/h6,8-11H,2-5,7,12-18H2,1H3,(H,24,27)