[2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: [2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(4-ethanoylpiperazin-1-yl)sulfonylbenzoate Openeye Name: [2-(cyclopentylcarbamoylamino)-2-oxo-ethyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate CAS Name: 3-[(4-acetyl-1-piperazinyl)sulfonyl]benzoic acid [2-[[(cyclopentylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 3-(4-acetylpiperazin-1-yl)sulfonylbenzoate Traditional Name: 3-(4-acetylpiperazino)sulfonylbenzoic acid [2-(cyclopentylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H28N4O7S MolecularWeight: 480.53462

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC(=O)NC3CCCC3

Isomeric SMILES

CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC(=O)NC3CCCC3

InChI

InChI=1S/C21H28N4O7S/c1-15(26)24-9-11-25(12-10-24)33(30,31)18-8-4-5-16(13-18)20(28)32-14-19(27)23-21(29)22-17-6-2-3-7-17/h4-5,8,13,17H,2-3,6-7,9-12,14H2,1H3,(H2,22,23,27,29)