[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 2-(cyclohexylcarbonylamino)ethanoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 2-(cyclohexylcarbonylamino)ethanoate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] 2-(cyclohexanecarbonylamino)acetate CAS Name: 2-[[cyclohexyl(oxo)methyl]amino]acetic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate Traditional Name: 2-(cyclohexanecarbonylamino)acetic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C21H29N3O6S MolecularWeight: 451.53646

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NCC(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)C(=O)NCC(=O)OCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H29N3O6S/c25-19(16-30-20(26)15-22-21(27)17-7-3-1-4-8-17)23-11-13-24(14-12-23)31(28,29)18-9-5-2-6-10-18/h2,5-6,9-10,17H,1,3-4,7-8,11-16H2,(H,22,27)