3-(cyclohexylcarbamoylamino)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide

Systemtic Name: 3-(cyclohexylcarbamoylamino)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide Openeye Name: 3-(cyclohexylcarbamoylamino)-N-[2-[4-(2-pyridyl)piperazin-1-yl]sulfonylethyl]propanamide CAS Name: 3-[[(cyclohexylamino)-oxomethyl]amino]-N-[2-[[4-(2-pyridinyl)-1-piperazinyl]sulfonyl]ethyl]propanamide IUPAC Name: 3-(cyclohexylcarbamoylamino)-N-[2-(4-pyridin-2-ylpiperazin-1-yl)sulfonylethyl]propanamide Traditional Name: 3-(cyclohexylcarbamoylamino)-N-[2-[4-(2-pyridyl)piperazino]sulfonylethyl]propionamide Formula: C21H34N6O4S MolecularWeight: 466.59746

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NCCC(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

C1CCC(CC1)NC(=O)NCCC(=O)NCCS(=O)(=O)N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C21H34N6O4S/c28-20(9-11-24-21(29)25-18-6-2-1-3-7-18)23-12-17-32(30,31)27-15-13-26(14-16-27)19-8-4-5-10-22-19/h4-5,8,10,18H,1-3,6-7,9,11-17H2,(H,23,28)(H2,24,25,29)